PURPLE (CAS 97-59-6) — formula C4H6N4O3, molecular weight 158.12; category organic chemicals.
Documented applications: Uses: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, [Hawley] Used as a medicine for wound healing, in biochemical research, and in the preparation of estrogenic compounds, Also used as a dermatological preparation to treat dandruff, seborrheic dermatitis, psoriasis, hair loss, corns, and calluses, It is an ingredient in sunscreens, [HSDB], For allantoin (USEPA, OPP Pesticide Code: 085701) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Subpart B: Section 310.545: Drug products containing certain active ingredients offered over-thecounter (OTC) for certain uses. Ingredients-Approved as of May 7, 1991: Allantoin (wound healing claims only)., Subpart B: Section 347.10 Skin protectant active ingredients. The active ingredients of the product consist of any of the following, within the concentration specified for each ingredient: (a) Allantoin, 0.5 to 2 percent., Allantoin is listed on the FDA OTC Ingredient List as used for or having reviews pending for use as a wound healing agent, skin protectant and external analgesic, a dandruff, psoriasis product, a grower for hair loss, a corn, callus remover, and a sunscreen ingredient., For more Uses (Complete) data for ALLANTOIN (7 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 75.1, Use Classification: Cosmetics -> Soothing, Consumer Uses: Other, Household Products: Information on 167 consumer products that contain Allantoin in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by oxidation of uric acid. Also present in tobacco seeds, wheat sprouts., Various heterocyclic compounds can be obtained by coupling polynucleophiles with glyoxylic acid: ... with urea and an acid catalyst, allantoin is obtained in 60% yield., Formulations, Preparations: Mederma, a topical skin gel produced by Merz Pharmaceuticals, LLC, 4215 Tudor Lane Greensboro, NC 27410, contains water (purified), PEG-4, allium cepa (onion) bulb extraxt, xanthan gum, allantoin, fragrance, methylparaben and sorbic acid., U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7149], General Manufacturing Information: Urea, N-(2, 5-dioxo-4-imidazolidinyl)-: ACTIVE, One of several compounds identified in comfrey (Symphytum officinale), The main effect of allantoin is the powerful stimulation of cell proliferation and the enhancement of the rebuilding of intact granulation tissue. In pharmaceutical applications, allantoin is used ... in the treatment of ulcers, slow-healing wounds and burns., Pesticide: Cancelled, The Food and Drug Administration (FDA) final monograph establishing conditions under which over-the-counter (OTC) skin protectant drug products are generally recognized as safe and effective and not misbranded includes allantoin as an active ingredient for symptoms of, skin, dryness and as a Category III skin protectant for wound-healing based on the lack of effectiveness data (43 FR 34628 at 34644 through 34647)., Allantoin ..., has, been present in oral mucosal injury drug products for use as oral wound healing agents. Oral wound healing agents have been marketed as aids in the healing of minor oral wounds by means other than cleansing and irrigating, or by serving as a protectant. Allantoin, is, safe for use as oral wound healing agents, but there are inadequate data to establish general recognition of the effectiveness of these ingredients as oral wound healing agents. ...Clinical investigations designed to obtain evidence that any drug product labeled, represented, or promoted for OTC use as an oral wound healing agent is safe and effective for the purpose intended must comply with the requirements and procedures governing the use of investigational new drugs set forth in part 312 of this chapter. (d) After the effective date of the final regulation, any OTC drug product that is labeled, or promoted for use as an oral wound healing agent may not be initially introduced or initially delivered for introduction into interstate commerce unless it is the subject of an approved new drug application..
PURPLE is a carbon-based organic compound with CAS registry number 97-59-6 and molecular formula C4H6N4O3 (molecular weight 158.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97-59-6
Its molecular formula C4H6N4O3 comprises 4 C, 6 H, 4 N, 3 O atoms.
Also known as: PURPLE
Category: organic chemicals
The CAS registry number of PURPLE is 97-59-6.
Molecular formula C4H6N4O3, molecular weight 158.12.
It is also registered under: PURPLE.
Recorded applications: Uses: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, [Hawley] Used as a medicine for wound healing, in biochemical research, and in the preparation of estrogenic compounds, Also used as a dermatological preparation to treat dandruff, seborrheic dermatitis, psoriasis, hair loss, corns, and calluses, It is an ingredient in sunscreens, [HSDB], For allantoin (USEPA, OPP Pesticide Code: 085701) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Subpart B: Section 310.545: Drug products containing certain active ingredients offered over-thecounter (OTC) for certain uses. Ingredients-Approved as of May 7, 1991: Allantoin (wound healing claims only)., Subpart B: Section 347.10 Skin protectant active ingredients. The active ingredients of the product consist of any of the following, within the concentration specified for each ingredient: (a) Allantoin, 0.5 to 2 percent., Allantoin is listed on the FDA OTC Ingredient List as used for or having reviews pending for use as a wound healing agent, skin protectant and external analgesic, a dandruff, psoriasis product, a grower for hair loss, a corn, callus remover, and a sunscreen ingredient., For more Uses (Complete) data for ALLANTOIN (7 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 75.1, Use Classification: Cosmetics -> Soothing, Consumer Uses: Other, Household Products: Information on 167 consumer products that contain Allantoin in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by oxidation of uric acid. Also present in tobacco seeds, wheat sprouts., Various heterocyclic compounds can be obtained by coupling polynucleophiles with glyoxylic acid: ... with urea and an acid catalyst, allantoin is obtained in 60% yield., Formulations, Preparations: Mederma, a topical skin gel produced by Merz Pharmaceuticals, LLC, 4215 Tudor Lane Greensboro, NC 27410, contains water (purified), PEG-4, allium cepa (onion) bulb extraxt, xanthan gum, allantoin, fragrance, methylparaben and sorbic acid., U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7149], General Manufacturing Information: Urea, N-(2, 5-dioxo-4-imidazolidinyl)-: ACTIVE, One of several compounds identified in comfrey (Symphytum officinale), The main effect of allantoin is the powerful stimulation of cell proliferation and the enhancement of the rebuilding of intact granulation tissue. In pharmaceutical applications, allantoin is used ... in the treatment of ulcers, slow-healing wounds and burns., Pesticide: Cancelled, The Food and Drug Administration (FDA) final monograph establishing conditions under which over-the-counter (OTC) skin protectant drug products are generally recognized as safe and effective and not misbranded includes allantoin as an active ingredient for symptoms of, skin, dryness and as a Category III skin protectant for wound-healing based on the lack of effectiveness data (43 FR 34628 at 34644 through 34647)., Allantoin ..., has, been present in oral mucosal injury drug products for use as oral wound healing agents. Oral wound healing agents have been marketed as aids in the healing of minor oral wounds by means other than cleansing and irrigating, or by serving as a protectant. Allantoin, is, safe for use as oral wound healing agents, but there are inadequate data to establish general recognition of the effectiveness of these ingredients as oral wound healing agents. ...Clinical investigations designed to obtain evidence that any drug product labeled, represented, or promoted for OTC use as an oral wound healing agent is safe and effective for the purpose intended must comply with the requirements and procedures governing the use of investigational new drugs set forth in part 312 of this chapter. (d) After the effective date of the final regulation, any OTC drug product that is labeled, or promoted for use as an oral wound healing agent may not be initially introduced or initially delivered for introduction into interstate commerce unless it is the subject of an approved new drug application..
Category: Organic Chemicals.
Public-database records for PURPLE (CAS 97-59-6), reproduced here for independent cross-checking.
| GHS 通报统计 | 86.9% (319 / 367) |
|---|---|
| 已通报的危害声明 | H302 (13.1%) |
| 法规与食品接触 | CIR / INCI: Cosmetic ingredients (Allantoin) -> CIR (Cosmetic Ingredient Review) |
|---|---|
| GHS 通报统计 | 86.9% (319 / 367) |
| 熔点 | 239 °C /Racemic form/ |
|---|---|
| 熔点 | MP: 230 °C (decomposes) |
| 熔点 | 239 °C |
| 溶解度 | In water, 5.26X10+3 mg/L at 25 °C |
| 溶解度 | 5.26 mg/mL |
| pH | pH = 4.5 - 6 (5% in water, 20 °C) |
| Collision Cross Section | 126.7 Ų [M-H]- |
| Collision Cross Section | 143.3 Ų [M+Na]+ |
| CAS 号 | 97-59-6 |
|---|---|
| PubChem CID | 204 |
| 分子式 | C4H6N4O3 |
| 分子量 | 158.04 g/mol |
| IUPAC 名称 | (2,5-dioxoimidazolidin-4-yl)urea |
| InChIKey | POJWUDADGALRAB-UHFFFAOYSA-N |
| UNII(FDA) | 344S277G0Z |
| ChEBI 编号 | CHEBI:15676 |
allantoin; 97-59-6; 5-Ureidohydantoin; Glyoxyldiureide; Cordianine; Glyoxyldiureid; Allantol; Sebical; Alantan; AVC/Dienestrolcream; Psoralon; Septalan; Urea, (2,5-dioxo-4-imidazolidinyl)-; (2,5-Dioxo-4-imidazolidinyl)urea; (2,5-dioxoimidazolidin-4-yl)urea; Cutemol emollient
| 分子量 | 158.12 |
|---|---|
| XLogP3 | -2.2 |
| 氢键供体数 | 4 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 158.04399007 |
| 单同位素质量 | 158.04399007 |
| 拓扑极性表面积 | 113 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
尿囊素 的 CAS 号为 97-59-6,分子式 C4H6N4O3,分子量 158.04 g/mol。 UNII 344S277G0Z; ChEBI 15676; InChIKey POJWUDADGALRAB-UHFFFAOYSA-N. 熔点: 239 °C /Racemic form/; 熔点: MP: 230 °C (decomposes); 熔点: 239 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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