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Details

Stereochemistry RACEMIC
Molecular Formula C16H14ClNO3
Molecular Weight 303.74
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=VWCVISQQSXSKIH-VXGBXAGGSA-N
InChI=1S/C16H14ClNO3/c17-8-1-2-15-9(3-8)11-6-18-7-12(11)10-4-13(19)14(20)5-16(10)21-15/h1-5,11-12,18-20H,6-7H2/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14ClNO3
Molecular Weight 303.74
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 20:22:40 UTC 2023
Edited
by admin
on Thu Jul 06 20:22:40 UTC 2023
Record UNII
R2K1H57CFY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3AS,12BS)-11-CHLORO-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROLE-5,6-DIOL
Systematic Name English
10,11-DIHYDROXY-N-DESMETHYLASENAPINE
Common Name English
Code System Code Type Description
CAS
1708909-25-4
Created by admin on Thu Jul 06 20:22:40 UTC 2023 , Edited by admin on Thu Jul 06 20:22:40 UTC 2023
PRIMARY
PUBCHEM
139593534
Created by admin on Thu Jul 06 20:22:40 UTC 2023 , Edited by admin on Thu Jul 06 20:22:40 UTC 2023
PRIMARY
FDA UNII
R2K1H57CFY
Created by admin on Thu Jul 06 20:22:40 UTC 2023 , Edited by admin on Thu Jul 06 20:22:40 UTC 2023
PRIMARY
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