5-Mercaptopyridoxine hydrochloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H11NO2S.ClH
Molecular Weight	221.704
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Mercaptopyridoxine hydrochloride

Structure Search

SMILES

Cl.CC1=NC=C(CS)C(CO)=C1O

InChI

InChIKey=YPRMPUCBNRXSEU-UHFFFAOYSA-N

InChI=1S/C8H11NO2S.ClH/c1-5-8(11)7(3-10)6(4-12)2-9-5;/h2,10-12H,3-4H2,1H3;1H

HIDE SMILES / InChI

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	C8H11NO2S
Molecular Weight	185.243
Charge	0
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 `Tue Apr 01 19:43:55 GMT 2025` Edited by `admin` on `Tue Apr 01 19:43:55 GMT 2025`
Record UNII	S82E3GA7CS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-526971

Preferred Name

English

5-Mercaptopyridoxine hydrochloride

Common Name

English

3-hydroxy-5-(mercaptomethyl)-2-methyl-4-pyridinemethanol, hydrochloride

Systematic Name

English

4-PYRIDINEMETHANOL, 3-HYDROXY-5-(MERCAPTOMETHYL)-2-METHYL-, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

876-85-7

Created by admin on Tue Apr 01 19:43:55 GMT 2025 , Edited by admin on Tue Apr 01 19:43:55 GMT 2025

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NSC

526971

Created by admin on Tue Apr 01 19:43:55 GMT 2025 , Edited by admin on Tue Apr 01 19:43:55 GMT 2025

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FDA UNII

S82E3GA7CS

Created by admin on Tue Apr 01 19:43:55 GMT 2025 , Edited by admin on Tue Apr 01 19:43:55 GMT 2025

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EPA CompTox

DTXSID30236512

Created by admin on Tue Apr 01 19:43:55 GMT 2025 , Edited by admin on Tue Apr 01 19:43:55 GMT 2025

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PUBCHEM

200184

Created by admin on Tue Apr 01 19:43:55 GMT 2025 , Edited by admin on Tue Apr 01 19:43:55 GMT 2025

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Related Record Type Details


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5-Mercaptopyridoxine

PARENT -> SALT/SOLVATE

Amount: