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Details

Stereochemistry ACHIRAL
Molecular Formula C32H37N7O5
Molecular Weight 599.6801
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dabigatran etexilate acid

SMILES

CCCCCCOC(=O)NC(=N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(O)=O)C4=NC=CC=C4)N2C)C=C1

InChI

InChIKey=UGEWTLXHMYKLCO-UHFFFAOYSA-N
InChI=1S/C32H37N7O5/c1-3-4-5-8-19-44-32(43)37-30(33)22-10-13-24(14-11-22)35-21-28-36-25-20-23(12-15-26(25)38(28)2)31(42)39(18-16-29(40)41)27-9-6-7-17-34-27/h6-7,9-15,17,20,35H,3-5,8,16,18-19,21H2,1-2H3,(H,40,41)(H2,33,37,43)

HIDE SMILES / InChI

Approval Year

Name Type Language
Dabigatran etexilate acid
Common Name English
BIBR 1087
Code English
3-(2-{[(4-{N'-[(Hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoic acid
Systematic Name English
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
Systematic Name English
BIBR-1087SE
Common Name English
BIBR-1087
Code English
Code System Code Type Description
EPA CompTox
DTXSID00437796
Created by admin on Sat Dec 16 01:12:14 GMT 2023 , Edited by admin on Sat Dec 16 01:12:14 GMT 2023
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FDA UNII
441X78E2Z0
Created by admin on Sat Dec 16 01:12:14 GMT 2023 , Edited by admin on Sat Dec 16 01:12:14 GMT 2023
PRIMARY
CAS
212321-78-3
Created by admin on Sat Dec 16 01:12:14 GMT 2023 , Edited by admin on Sat Dec 16 01:12:14 GMT 2023
PRIMARY
PUBCHEM
10290289
Created by admin on Sat Dec 16 01:12:14 GMT 2023 , Edited by admin on Sat Dec 16 01:12:14 GMT 2023
PRIMARY