OCTOTIAMINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H36N4O5S3
Molecular Weight	544.751
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CCCCC(CCSS\C(CCO)=C(\C)N(CC1=C(N)N=C(C)N=C1)C=O)SC(C)=O

InChI

InChIKey=VJTXQHYNRDGLON-PGMHBOJBSA-N

InChI=1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)/b21-16-

HIDE SMILES / InChI

Molecular Formula	C23H36N4O5S3
Molecular Weight	544.751
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Description
Sources: http://drug-info.in/neuvita-octotiamine-fujisawa/

Octotiamine is an analogue of vitamin B1. As a component of vitamin complex used for the treatment of vitamin B1 deficiency; vitamin B1 supplement.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Vitamin B1 deficiency 2 Sources: http://drug-info.in/neuvita-octotiamine-fujisawa/	Primary		Approved 8429	Neuvita Approved Use Indicatied for the treatment of vitamin B1 deficiency; vitamin B1 supplement

PubMed

Title	Date	PubMed
Influence of powder characteristics of bulk substance with pharmaceutical processing.	1998 Sep	9876537

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:33:51 GMT 2023` Edited by `admin` on `Fri Dec 15 17:33:51 GMT 2023`
Record UNII	UN1Q7096GA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTOTIAMINE

Official Name

English

8-((2-(N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDO)-1-(2-HYDROXYETHYL)PROPENYL)DITHIO)-6-MERCAPTOOCTANOIC ACID, METHYL ESTER ACETATE

Common Name

English

OCTOTIAMINE [JAN]

Common Name

English

Octotiamine [WHO-DD]

Common Name

English

OCTOTIAMINE [MART.]

Common Name

English

NEUVITA

Brand Name

English

OCTOTIAMINE [MI]

Common Name

English

octotiamine [INN]

Common Name

English

PUROFFIT

Brand Name

English

Code System Code Type Description

EPA CompTox

DTXSID3057640