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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N5O3
Molecular Weight 353.3752
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CN1C(CN)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C3=NC=CC=C3

InChI

InChIKey=WLVSOHFZTKZNMN-UHFFFAOYSA-N
InChI=1S/C18H19N5O3/c1-22-14-6-5-12(10-13(14)21-16(22)11-19)18(26)23(9-7-17(24)25)15-4-2-3-8-20-15/h2-6,8,10H,7,9,11,19H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C18H19N5O3
Molecular Weight 353.3752
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 16:16:45 UTC 2023
Edited
by admin
on Sat Dec 16 16:16:45 UTC 2023
Record UNII
1G2Z3YKT62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ALANINE, N-((2-(AMINOMETHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
Systematic Name English
DABIGATRAN METABOLITE M354
Common Name English
Code System Code Type Description
FDA UNII
1G2Z3YKT62
Created by admin on Sat Dec 16 16:16:45 UTC 2023 , Edited by admin on Sat Dec 16 16:16:45 UTC 2023
PRIMARY
PUBCHEM
144920619
Created by admin on Sat Dec 16 16:16:45 UTC 2023 , Edited by admin on Sat Dec 16 16:16:45 UTC 2023
PRIMARY
CAS
1015167-29-9
Created by admin on Sat Dec 16 16:16:45 UTC 2023 , Edited by admin on Sat Dec 16 16:16:45 UTC 2023
PRIMARY
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