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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27ClN2O3
Molecular Weight 426.9366
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SSR-181507

SMILES

c1ccc(cc1)C(=O)N2[C@@]3([H])CC[C@]2([H])C[C@]([H])(C3)CNC[C@@]4([H])COc5ccc(cc5O4)Cl

InChI

InChIKey=VDQJQKSTXHXBME-DVWBAYGPSA-N
InChI=1S/C24H27ClN2O3/c25-18-6-9-22-23(12-18)30-21(15-29-22)14-26-13-16-10-19-7-8-20(11-16)27(19)24(28)17-4-2-1-3-5-17/h1-6,9,12,16,19-21,26H,7-8,10-11,13-15H2/t16-,19-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27ClN2O3
Molecular Weight 426.9366
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:50:14 UTC 2021
Edited
by admin
on Sat Jun 26 01:50:14 UTC 2021
Record UNII
H276H25KW0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SSR-181507
Code English
8-AZABICYCLO(3.2.1)OCTANE-3-METHANAMINE, 8-BENZOYL-N-(((2S)-7-CHLORO-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)METHYL)-, (3-EXO)-
Systematic Name English
Code System Code Type Description
CAS
737743-26-9
Created by admin on Sat Jun 26 01:50:14 UTC 2021 , Edited by admin on Sat Jun 26 01:50:14 UTC 2021
PRIMARY
EVMPD
SUB193662
Created by admin on Sat Jun 26 01:50:14 UTC 2021 , Edited by admin on Sat Jun 26 01:50:14 UTC 2021
PRIMARY
FDA UNII
H276H25KW0
Created by admin on Sat Jun 26 01:50:14 UTC 2021 , Edited by admin on Sat Jun 26 01:50:14 UTC 2021
PRIMARY
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OFF-TARGET->INHIBITOR
IC50
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TARGET -> INHIBITOR
TARGET -> AGONIST
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