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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 of OCTOTIAMINE

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

Description

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

ConditionModalityTargetsHighest PhaseProduct
Primary
Neuvita

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
UN1Q7096GA
Record Status Validated (UNII)
Record Version