cocarboxylase

Description

cocarboxylase · CAS 154-87-0 · C12H19N4O7P2S.Cl. UNII XMK8K8EVIU.

Identification

CAS Registry Number	154-87-0
PubChem CID	9068
Molecular formula	C12H19N4O7P2S.Cl
IUPAC name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride
UNII (FDA)	XMK8K8EVIU

Computed Descriptors

Molecular Weight	460.77
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	460.0138218
Monoisotopic Mass	460.0138218
Topological Polar Surface Area	197
Heavy Atom Count	27
Formal Charge	0
Complexity	568

Physical description & handling notes

• Colorless or white solid; [EFSA] White powder; [Alfa Aesar MSDS]
• 186.8 Ų [M+Na-H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 181.8 Ų [M]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 178.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 182 Ų [M]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Regulatory Status

GHS notification summary	80% (4 / 5)

GHS Hazard Classification

GHS notification summary	80% (4 / 5)
Reported hazard statements	H317 (20%)

Documented Uses

• Most abundant form of thiamine in animals; [Merck Index] The coenzyme form of vitamin B1 found in numerous animal tissues; [ChemIDplus] Present in foods such as vegetables, meats, cereals, legumes, and yeast; Used as a source of thiamine (vitamin B1) in foods and dietary supplements; [ExPub: EFSA]
• Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1): ACTIVE
• Take with or without food. Many different products contain cocarboxylase; refer to the product monograph for more specific instruction. EnBrace HR and EnLyte products should be taken on an empty stomach.

Synonyms

Cocarboxylase [INN:DCF:JAN]; Vitamin B1 pyrophosphate chloride; Cocarboxylase (INN:DCF:JAN); RefChem:1082096; cocarboxylase; 154-87-0; Thiamine pyrophosphate chloride; Bivitasi; Thiaminediphosphate; Cocarboxilasa; Cocarboxylasum; Berolase; B-Carbossilasi; thiamine diphosphate; Cocarboxylase chloride; Coenzymate (TN)

Frequently Asked Questions

What are the CAS number and molecular formula of cocarboxylase?

CAS 154-87-0; molecular formula C12H19N4O7P2S.Cl; molecular weight — g/mol.

What other names is cocarboxylase known by?

Cocarboxylase [INN:DCF:JAN], Vitamin B1 pyrophosphate chloride, Cocarboxylase (INN:DCF:JAN), RefChem:1082096, cocarboxylase, 154-87-0.

Is cocarboxylase classified as hazardous?

80% of GHS notifications report no hazard classification (4 of 5).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.