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Details

Stereochemistry ACHIRAL
Molecular Formula C26H26N4O4S
Molecular Weight 490.574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENTIAMINE

SMILES

C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChIKey=AZJUFRDUYTYIHV-NKFKGCMQSA-N
InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-

HIDE SMILES / InChI

Approval Year

Name Type Language
BENTIAMINE
INN   WHO-DD  
INN  
Official Name English
Bentiamine [WHO-DD]
Common Name English
DIBENZOYLTHIAMINE
Common Name English
bentiamine [INN]
Common Name English
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-N-(4-HYDROXY-2-MERCAPTO-1-METHYL-1-BUTENYL)FORMAMIDE O,S-DIBENZOATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C45812
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
206-084-7
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
PUBCHEM
3036235
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
SMS_ID
100000086378
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
INN
1468
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
EVMPD
SUB05735MIG
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID7043827
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106533
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
FDA UNII
8PUY50JWLU
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
NCI_THESAURUS
C77084
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
MESH
C023638
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY
CAS
299-88-7
Created by admin on Fri Dec 15 15:34:19 UTC 2023 , Edited by admin on Fri Dec 15 15:34:19 UTC 2023
PRIMARY