U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H30N4O5S.ClH
Molecular Weight 487.013
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACOTIAMIDE HYDROCHLORIDE ANHYDROUS

SMILES

Cl.COC1=CC(O)=C(C=C1OC)C(=O)NC2=NC(=CS2)C(=O)NCCN(C(C)C)C(C)C

InChI

InChIKey=VQEKQYLTAIVCBW-UHFFFAOYSA-N
InChI=1S/C21H30N4O5S.ClH/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H

HIDE SMILES / InChI

Molecular Formula C21H30N4O5S
Molecular Weight 450.552
Charge 0
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:08:14 UTC 2023
Edited
by admin
on Sat Dec 16 06:08:14 UTC 2023
Record UNII
510791NN30
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACOTIAMIDE HYDROCHLORIDE ANHYDROUS
Common Name English
4-THIAZOLECARBOXAMIDE, N-(2-(BIS(1-METHYLETHYL)AMINO)ETHYL)-2-((2-HYDROXY-4,5-DIMETHOXYBENZOYL)AMINO)-, MONOHYDROCHLORIDE
Common Name English
4-THIAZOLECARBOXAMIDE, N-(2-(BIS(1-METHYLETHYL)AMINO)ETHYL)-2-((2-HYDROXY-4,5-DIMETHOXYBENZOYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
ACOTIAMIDE HYDROCHLORIDE [MI]
Common Name English
Acotiamide hydrochloride [WHO-DD]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30171717
Created by admin on Sat Dec 16 06:08:14 UTC 2023 , Edited by admin on Sat Dec 16 06:08:14 UTC 2023
PRIMARY
CAS
185104-11-4
Created by admin on Sat Dec 16 06:08:14 UTC 2023 , Edited by admin on Sat Dec 16 06:08:14 UTC 2023
PRIMARY
PUBCHEM
9957090
Created by admin on Sat Dec 16 06:08:14 UTC 2023 , Edited by admin on Sat Dec 16 06:08:14 UTC 2023
PRIMARY
MERCK INDEX
m1383
Created by admin on Sat Dec 16 06:08:14 UTC 2023 , Edited by admin on Sat Dec 16 06:08:14 UTC 2023
PRIMARY Merck Index
FDA UNII
510791NN30
Created by admin on Sat Dec 16 06:08:14 UTC 2023 , Edited by admin on Sat Dec 16 06:08:14 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY