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Details

Stereochemistry RACEMIC
Molecular Formula C17H14ClNO3
Molecular Weight 315.751
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3AS,12BS)-5-CHLORO-11-HYDROXY-1,3,3A,12B-TETRAHYDRO-2H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROLE-2-CARBALDEHYDE

SMILES

[H][C@]12CN(C[C@]1([H])C3=C(OC4=CC=C(Cl)C=C24)C=CC(O)=C3)C=O

InChI

InChIKey=DVLUWPINIFUQAO-HUUCEWRRSA-N
InChI=1S/C17H14ClNO3/c18-10-1-3-16-12(5-10)14-7-19(9-20)8-15(14)13-6-11(21)2-4-17(13)22-16/h1-6,9,14-15,21H,7-8H2/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H14ClNO3
Molecular Weight 315.751
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:51:55 UTC 2023
Edited
by admin
on Thu Jul 06 20:51:55 UTC 2023
Record UNII
5WZA7M826J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3AS,12BS)-5-CHLORO-11-HYDROXY-1,3,3A,12B-TETRAHYDRO-2H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROLE-2-CARBALDEHYDE
Systematic Name English
11-DIHYDROXY-N-FORMYL-N-DESMETHYLASENAPINE
Common Name English
Code System Code Type Description
FDA UNII
5WZA7M826J
Created by admin on Thu Jul 06 20:51:56 UTC 2023 , Edited by admin on Thu Jul 06 20:51:56 UTC 2023
PRIMARY
PUBCHEM
156596474
Created by admin on Thu Jul 06 20:51:56 UTC 2023 , Edited by admin on Thu Jul 06 20:51:56 UTC 2023
PRIMARY
CAS
1708909-31-2
Created by admin on Thu Jul 06 20:51:56 UTC 2023 , Edited by admin on Thu Jul 06 20:51:56 UTC 2023
PRIMARY
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