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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21N5O4
Molecular Weight 395.4126
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ALANINE, N-((2-((ACETYLAMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-

SMILES

CC(=NCc1nc2cc(ccc2n1C)C(=O)N(CCC(=O)O)c3ccccn3)O

InChI

InChIKey=RDBOPNWKRCXFMD-UHFFFAOYSA-N
InChI=1S/C20H21N5O4/c1-13(26)22-12-18-23-15-11-14(6-7-16(15)24(18)2)20(29)25(10-8-19(27)28)17-5-3-4-9-21-17/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,26)(H,27,28)

HIDE SMILES / InChI

Molecular Formula C20H21N5O4
Molecular Weight 395.4126
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 Jun 26 04:22:25 UTC 2021
Edited
by admin
on Sat Jun 26 04:22:25 UTC 2021
Record UNII
M69580F9QS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ALANINE, N-((2-((ACETYLAMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
Systematic Name English
DABIGATRAN METABOLITE M396
Common Name English
BI00003522
Common Name English
Code System Code Type Description
FDA UNII
M69580F9QS
Created by admin on Sat Jun 26 04:22:25 UTC 2021 , Edited by admin on Sat Jun 26 04:22:25 UTC 2021
PRIMARY
PUBCHEM
146675109
Created by admin on Sat Jun 26 04:22:25 UTC 2021 , Edited by admin on Sat Jun 26 04:22:25 UTC 2021
PRIMARY
CAS
1015167-32-4
Created by admin on Sat Jun 26 04:22:25 UTC 2021 , Edited by admin on Sat Jun 26 04:22:25 UTC 2021
PRIMARY
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