COCARBOXYLASE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H19N4O7P2S.Cl.H2O
Molecular Weight	478.783
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COCARBOXYLASE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.[Cl-].CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=YNXBEEQJNLOBNX-UHFFFAOYSA-N

InChI=1S/C12H18N4O7P2S.ClH.H2O/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H;1H2

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C12H19N4O7P2S
Molecular Weight	425.314
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:35:40 UTC 2023` Edited by `admin` on `Sat Dec 16 18:35:40 UTC 2023`
Record UNII	C6A4I117L8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COCARBOXYLASE HYDROCHLORIDE MONOHYDRATE

Common Name

English

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, MONOHYDRATE

Systematic Name

English

COCARBOXYLASE CHLORIDE MONOHYDRATE

Common Name

English

THIAMINE DIPHOSPHATE MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

C6A4I117L8

Created by admin on Sat Dec 16 18:35:41 UTC 2023 , Edited by admin on Sat Dec 16 18:35:41 UTC 2023

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MERCK INDEX

m10718

Created by admin on Sat Dec 16 18:35:41 UTC 2023 , Edited by admin on Sat Dec 16 18:35:41 UTC 2023

PRIMARY

Merck Index

CAS

5914-00-1

Created by admin on Sat Dec 16 18:35:41 UTC 2023 , Edited by admin on Sat Dec 16 18:35:41 UTC 2023

PRIMARY

PUBCHEM

101043005

Created by admin on Sat Dec 16 18:35:41 UTC 2023 , Edited by admin on Sat Dec 16 18:35:41 UTC 2023

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