ChemicalBook--->CAS DataBase List--->68684-55-9

68684-55-9

68684-55-9 Structure

68684-55-9 Structure
IdentificationBack Directory
[Name]

Cocarboxylase tetrahydrate
[CAS]

68684-55-9
[Synonyms]

TPP tetrahydrate
Cocarboxylase 4-hydrate
COCABOXYLASETETRAHYDRATE
Cocarboxylase tetrahydrate
Thiamine diphosphoric acid ester
Thiamine pyrophosphate chloride tetrahydrate
Cocarboxylasetetrahydrate(thiaminediphosphoricacidestertetrahydrate)
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium P,P'-dioxide tetrahydrate
3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((((hydrogen phosphonato)oxy)(hydroxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium tetrahydrate
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C12H18N4O7P2S.4H2O
[MDL Number]

MFCD00150680
[MOL File]

68684-55-9.mol
[Molecular Weight]

496.368
Chemical PropertiesBack Directory
[Melting point ]

>170°C (dec.)
[bulk density]

450kg/m3
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[PH]

2.4-3.2 (20°C, 100g/L in H2O)
[Water Solubility ]

55g/L
[Stability:]

Hygroscopic
[InChIKey]

KLOLNRGPRQYTIW-UHFFFAOYSA-N
[SMILES]

[N+]1(=CSC(CCOP(=O)(O)OP([O-])(=O)O)=C1C)CC1=CN=C(C)N=C1N.O.O.O.O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P363-P501
Hazard InformationBack Directory
[Uses]

Cocarboxylase tetrahydrate Emprove(R) API is a source for Vitamin B1 for use in clinical nutrition, vitamin supplements and infusion for Vitamin B1 deficiency. Cocarboxylase Tetrahydrate (thiamine diphosphoric acid ester tetrahydrate) Emprove(R) API is manufactured according to ICH Q7 guidelines. An ASMF is available.
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