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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31Cl2N5O5
Molecular Weight 636.525
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Chloro-2-[[(1R,6R)-5-[(2S)-2-(5-chloropyridin-2-yl)-2-methyl-1,3-benzodioxol-4-yl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid

SMILES

C[C@@]1(OC2=C(O1)C(=CC=C2)N3CCN(CC4=NC5=C(C=C(C=C5Cl)C(O)=O)N4C[C@@H]6CCO6)[C@@H]7CC[C@@H]37)C8=CC=C(Cl)C=N8

InChI

InChIKey=OPPHXSWEVZHWBX-KMZDJKEXSA-N
InChI=1S/C32H31Cl2N5O5/c1-32(27-8-5-19(33)15-35-27)43-26-4-2-3-24(30(26)44-32)38-11-10-37(22-6-7-23(22)38)17-28-36-29-21(34)13-18(31(40)41)14-25(29)39(28)16-20-9-12-42-20/h2-5,8,13-15,20,22-23H,6-7,9-12,16-17H2,1H3,(H,40,41)/t20-,22+,23+,32-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7-Chloro-2-[[(1R,6R)-5-[(2S)-2-(5-chloropyridin-2-yl)-2-methyl-1,3-benzodioxol-4-yl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Systematic Name English
1H-Benzimidazole-6-carboxylic acid, 4-chloro-2-[[(1R,6R)-5-[(2S)-2-(5-chloro-2-pyridinyl)-2-methyl-1,3-benzodioxol-4-yl]-2,5-diazabicyclo[4.2.0]oct-2-yl]methyl]-1-[(2S)-2-oxetanylmethyl]-
Preferred Name English
Code System Code Type Description
FDA UNII
4786NG6W2W
Created by admin on Wed Apr 02 15:03:13 GMT 2025 , Edited by admin on Wed Apr 02 15:03:13 GMT 2025
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CAS
2922542-61-6
Created by admin on Wed Apr 02 15:03:13 GMT 2025 , Edited by admin on Wed Apr 02 15:03:13 GMT 2025
PRIMARY
PUBCHEM
168192712
Created by admin on Wed Apr 02 15:03:13 GMT 2025 , Edited by admin on Wed Apr 02 15:03:13 GMT 2025
PRIMARY