ASENAPINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H16ClNO
Molecular Weight	285.768
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASENAPINE

Structure Search

SMILES

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

InChI

InChIKey=VSWBSWWIRNCQIJ-HUUCEWRRSA-N

InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H16ClNO
Molecular Weight	285.768
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 `Fri Dec 15 15:40:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:40:11 UTC 2023`
Record UNII	JKZ19V908O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ASENAPINE

Official Name

English

asenapine [INN]

Common Name

English

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

Common Name

English

ASENAPINE [MI]

Common Name

English

ASENAPINE [ORANGE BOOK]

Common Name

English

(3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROLE

Common Name

English

ASENAPINE [VANDF]

Common Name

English

Asenapine [WHO-DD]

Common Name

English

SECUADO

Brand Name

English

Classification Tree Code System Code

NDF-RT

N0000175430

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

WHO-ATC

N05AH05

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

NCI_THESAURUS

C29710

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

LIVERTOX

NBK548092

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

WHO-VATC

QN05AH05

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID8049048

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

DAILYMED

JKZ19V908O

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

CHEBI

71253

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

MERCK INDEX

m2091

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB06216

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

SMS_ID

100000115346

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL3187365

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

PUBCHEM

163091

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

EVMPD

SUB30497

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

HSDB

8061

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

MESH

C522667

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

FDA UNII

JKZ19V908O

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

RXCUI

784649

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

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RxNorm

DRUG CENTRAL

4115

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

CAS

65576-45-6

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

NCI_THESAURUS

C72705

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

LACTMED

Asenapine

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

IUPHAR

22

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

INN

8278

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

ECHA (EC/EINECS)

265-829-4

Created by admin on Fri Dec 15 15:40:11 UTC 2023 , Edited by admin on Fri Dec 15 15:40:11 UTC 2023

PRIMARY

Related Record Type Details


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


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5-HYDROXYTRYPTAMINE RECEPTOR 2A

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					JKZ19V908O

ASENAPINE

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL; URINE

Amount:


					CU9463U2E2

ASENAPINE MALEATE

SALT/SOLVATE -> PARENT


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					19GBD6T9L7

D(2) DOPAMINE RECEPTOR

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					2Z7LDE78YX

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Related Record Type Details


					FOL8P5KGJ9

(2S,3S,4S,5R,6S)-6-(((3ARS,12BRS)-11-CHLORO-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROL-5-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

URINE


					R2K1H57CFY

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

METABOLITE -> PARENT

Qualification:

FECAL


					5WZA7M826J

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

METABOLITE -> PARENT

Qualification:

FECAL


					QEW8YGX9F7

N-DESMETHYLASENAPINE N-CARBAMOYL GLUCURONIDE

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Amount:


					73L031QSL2

10,11-DIHYDROXYASENAPINE

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

FECAL


					57VF2B3P4V

(2S,3S,4S,5R,6S)-6-(((3A-RS,12B-RS)-11-CHLORO-2-METHYL-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROL-5-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					CBA9V0S6QP

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

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA


					PHU85BU2H1

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

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					OH4FCX9R0X

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

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA

Amount:

Related Record Type Details


					JKZ19V908O

ASENAPINE

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC				FOLLOWING AN INITIAL MORE RAPID DISTRIBUTION PHASE

Tmax	PHARMACOKINETIC				SINGLE DOSE ADMINISTRATION