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Details

Stereochemistry RACEMIC
Molecular Formula C23H36N4O5S3.ClH
Molecular Weight 581.212
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OCTOTIAMINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=NXYSZSRWHYVNSH-PLMZOXRSSA-N
InChI=1S/C23H36N4O5S3.ClH/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);1H/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 ( + / - )
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

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

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8429
Neuvita

Approved Use

Indicatied for the treatment of vitamin B1 deficiency; vitamin B1 supplement
PubMed

PubMed

TitleDatePubMed
Influence of powder characteristics of bulk substance with pharmaceutical processing.
1998 Sep
Patents

Patents

DE2917008A1
2
JP2000247879A
2
JP2010509991A
41
JP2010540159A
31
JPH09143088A
4

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:00:50 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:50 GMT 2023
Record UNII
EGG1E98G4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTOTIAMINE HYDROCHLORIDE
Common Name English
OCTANOIC ACID, 8-((2-(N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDO)-1-(2-HYDROXYETHYL)PROPENYL)DITHIO)-6-MERCAPTO-, METHYL ESTER, S-ACETATE, HYDROCHLORIDE
Systematic Name English
THIAMINE 8-METHYL-6-ACETYLDIHYDROTHIOCTATE DISULFIDE HYDROCHLORIDE
Systematic Name English
NEUVITAN HYDROCHLORIDE
Brand Name English
OCTANOIC ACID, 6-(ACETYLTHIO)-8-((2-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-1-(2-HYDROXYETHYL)-1-PROPEN-1-YL)DITHIO)-, METHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
OCTANOIC ACID, 8-((2-(N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDO)-1-(2-HYDROXYETHYL)PROPENYL)DITHIO)-6-MERCAPTO-, METHYL ESTER, S-ACETATE, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
EGG1E98G4Q
Created by admin on Sat Dec 16 10:00:50 GMT 2023 , Edited by admin on Sat Dec 16 10:00:50 GMT 2023
PRIMARY
CAS
1181-74-4
Created by admin on Sat Dec 16 10:00:50 GMT 2023 , Edited by admin on Sat Dec 16 10:00:50 GMT 2023
PRIMARY
PUBCHEM
86278117
Created by admin on Sat Dec 16 10:00:50 GMT 2023 , Edited by admin on Sat Dec 16 10:00:50 GMT 2023
PRIMARY
NIH
NCATS
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