Chlorhexidine Diacetate (CAS 56-95-1) — formula C22H30Cl2N10.2C2H4O2, molecular weight 625.5.
Chlorhexidine Diacetate is a chemical compound with CAS registry number 56-95-1 and molecular formula C22H30Cl2N10.2C2H4O2 (molecular weight 625.5).
CAS number: 56-95-1
Its molecular formula C22H30Cl2N10.2C2H4O2 comprises 24 C, 34 H, 2 Cl, 10 N, 2 O atoms.
Also known as: Chlorhexidine Diacetate · Chlorhexidine acetate
The CAS registry number of Chlorhexidine Diacetate is 56-95-1.
Molecular formula C22H30Cl2N10.2C2H4O2, molecular weight 625.5.
It is also registered under: Chlorhexidine Diacetate, Chlorhexidine acetate.
Public-database records for Chlorhexidine Diacetate (CAS 56-95-1), reproduced here for independent cross-checking.
| CAS 号 | 56-95-1 |
|---|---|
| PubChem CID | 5967 |
| 分子式 | C26H38Cl2N10O4 |
| 分子量 | 624.25 g/mol |
| IUPAC 名称 | acetic acid;2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine |
| InChIKey | WDRFFJWBUDTUCA-UHFFFAOYSA-N |
| UNII（FDA） | 5908ZUF22Y |
| ChEBI 编号 | CHEBI:81711 |
206986-79-0; MFCD00012532; 1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide] diacetate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate; CAS-56-95-1; NCGC00091025-03; CHLORHEXIDINE ACETATE [USP MONOGRAPH]; Chlorhexidine acetate hydrate(1:2:x); Chlorhexidine diacetate CRS; SCHEMBL12043; CHLORHEXIDINE DIACATATE; SCHEMBL343539; Chlorhexidine diacetate salt hydrate, bis(biguanide) antimicrobial; orb1310085; orb3025794; C26H38Cl2N10O4
| 分子量 | 625.5 |
|---|---|
| 氢键供体数 | 8 |
| 氢键受体数 | 6 |
| 可旋转键数 | 13 |
| 精确质量 | 624.2454551 |
| 单同位素质量 | 624.2454551 |
| 拓扑极性表面积 | 252 |
| 重原子数 | 42 |
| 形式电荷 | 0 |
| 复杂度 | 679 |
醋酸氯己定 的 CAS 号为 56-95-1，分子式 C26H38Cl2N10O4，分子量 624.25 g/mol。 UNII 5908ZUF22Y; ChEBI 81711; InChIKey WDRFFJWBUDTUCA-UHFFFAOYSA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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