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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H36N6O3.ClH
Molecular Weight 529.074
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bexotegrast hydrochloride

SMILES

Cl.COCCN(CCCCC1=CC=C2CCCNC2=N1)CC[C@H](NC3=C4C=CC=CC4=NC=N3)C(O)=O

InChI

InChIKey=HBLKYAVXTOHYEL-JIDHJSLPSA-N
InChI=1S/C27H36N6O3.ClH/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26;/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32);1H/t24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H36N6O3
Molecular Weight 492.6131
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:23:33 GMT 2025
Edited
by admin
on Wed Apr 02 20:23:33 GMT 2025
Record UNII
C3G6G7WLX2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bexotegrast hydrochloride
Common Name English
PLN-74809 hydrochloride
Preferred Name English
Bexotegrast monohydrochloride
Common Name English
Code System Code Type Description
FDA UNII
C3G6G7WLX2
Created by admin on Wed Apr 02 20:23:33 GMT 2025 , Edited by admin on Wed Apr 02 20:23:33 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY