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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

OC1=C(O)C=C2[C@H]3CNC[C@@H]3C4=C(OC2=C1)C=CC(Cl)=C4

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

Approval Year

Unknown
149124
Name Type Language
10,11-DIHYDROXY-N-DESMETHYLASENAPINE
Preferred Name English
(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
Code System Code Type Description
CAS
1708909-25-4
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
PUBCHEM
139593534
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
FDA UNII
R2K1H57CFY
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of ASENAPINE
NIH
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