10,11-DIHYDROXYASENAPINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H16ClNO3
Molecular Weight	317.767
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BQEXZIIBOVTZLH-CHWSQXEVSA-N

InChI=1S/C17H16ClNO3/c1-19-7-12-10-4-9(18)2-3-16(10)22-17-6-15(21)14(20)5-11(17)13(12)8-19/h2-6,12-13,20-21H,7-8H2,1H3/t12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H16ClNO3
Molecular Weight	317.767
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 `Sat Dec 16 15:11:14 UTC 2023` Edited by `admin` on `Sat Dec 16 15:11:14 UTC 2023`
Record UNII	73L031QSL2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10,11-DIHYDROXYASENAPINE

Common Name

English

REL-(3AR,12BR)-11-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE-5,6-DIOL

Systematic Name

English

ASENAPINE METABOLITE (10,11-DIHYDROXYASENAPINE)

Common Name

English

1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE-5,6-DIOL, 11-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-, (3AR,12BR)-REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

70795523

Created by admin on Sat Dec 16 15:11:14 UTC 2023 , Edited by admin on Sat Dec 16 15:11:14 UTC 2023

PRIMARY

CAS

1262639-50-8

Created by admin on Sat Dec 16 15:11:14 UTC 2023 , Edited by admin on Sat Dec 16 15:11:14 UTC 2023

PRIMARY

FDA UNII

73L031QSL2

Created by admin on Sat Dec 16 15:11:14 UTC 2023 , Edited by admin on Sat Dec 16 15:11:14 UTC 2023

PRIMARY

Related Record Type Details


					JKZ19V908O

ASENAPINE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL