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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18N4O4
Molecular Weight 354.3599
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=XSHQQGMNBDLVGC-UHFFFAOYSA-N
InChI=1S/C18H18N4O4/c1-21-14-6-5-12(10-13(14)20-16(21)11-23)18(26)22(9-7-17(24)25)15-4-2-3-8-19-15/h2-6,8,10,23H,7,9,11H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C18H18N4O4
Molecular Weight 354.3599
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 16:00:51 GMT 2023
Edited
by admin
on Sat Dec 16 16:00:51 GMT 2023
Record UNII
5QH4NS7UHD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ALANINE, N-((2-(HYDROXYMETHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
Systematic Name English
DABIGATRAN METABOLITE M355
Common Name English
BI00003521
Common Name English
Code System Code Type Description
PUBCHEM
146675101
Created by admin on Sat Dec 16 16:00:52 GMT 2023 , Edited by admin on Sat Dec 16 16:00:52 GMT 2023
PRIMARY
CAS
1015167-30-2
Created by admin on Sat Dec 16 16:00:52 GMT 2023 , Edited by admin on Sat Dec 16 16:00:52 GMT 2023
PRIMARY
FDA UNII
5QH4NS7UHD
Created by admin on Sat Dec 16 16:00:52 GMT 2023 , Edited by admin on Sat Dec 16 16:00:52 GMT 2023
PRIMARY
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