ESMIRTAZAPINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19N3
Molecular Weight	265.3529
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESMIRTAZAPINE

Structure Search

SMILES

[H][C@]12CN(C)CCN1C3=C(CC4=C2C=CC=C4)C=CC=N3

InChI

InChIKey=RONZAEMNMFQXRA-MRXNPFEDSA-N

InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H19N3
Molecular Weight	265.3529
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:07:07 UTC 2023` Edited by `admin` on `Sat Dec 16 17:07:07 UTC 2023`
Record UNII	4685R51V7M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESMIRTAZAPINE

Official Name

English

PYRAZINO(2,1-A)PYRIDO(2,3-C)(2)BENZAZEPINE, 1,2,3,4,10,14B-HEXAHYDRO-2-METHYL-, (14BS)-

Systematic Name

English

Esmirtazapine [WHO-DD]

Common Name

English

ORG-44-20

Code

English

(+)-MIRTAZAPINE

Common Name

English

(S)-MIRTAZAPINE

Common Name

English

S-(+)-MIRTAZAPINE

Common Name

English

(S)-6-AZAMIANSERIN

Common Name

English

MIRTAZAPINE, (S)-

Common Name

English

(14BS)-1,2,3,4,10,14B-HEXAHYDRO-2-METHYLPYRAZINO(2,1-A)PYRIDO(2,3-C)(2)BENZAZEPINE

Common Name

English

esmirtazapine [INN]

Common Name

English

(S)-ORG 3770

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C66885

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

NCI_THESAURUS

C29756

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1366933

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

CAS

61337-87-9

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

ECHA (EC/EINECS)

262-714-0

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

DRUG BANK

DB06678

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

INN

8620

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

EPA CompTox

DTXSID001029320

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

PUBCHEM

3085218

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

FDA UNII

4685R51V7M

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

SMS_ID

100000174926

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

NCI_THESAURUS

C76963

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

WIKIPEDIA

ESMIRTAZAPINE

Created by admin on Sat Dec 16 17:07:08 UTC 2023 , Edited by admin on Sat Dec 16 17:07:08 UTC 2023

PRIMARY

Related Record Type Details


					I2U18E6JKA

ESMIRTAZAPINE MALEATE

SALT/SOLVATE -> PARENT

Amount:


					0UF1VD57JD

MIRTAZAPINE, (R)-

ENANTIOMER -> ENANTIOMER

Amount:


					W4BO00H6K6

5-HYDROXYTRYPTAMINE RECEPTOR 2C

TARGET -> INHIBITOR

Amount:


					NQI5D806LC

5-HYDROXYTRYPTAMINE RECEPTOR 2A

TARGET -> INHIBITOR

Amount:


					28XBT591QG

HISTAMINE H1 RECEPTOR

TARGET -> INHIBITOR

Amount:


					J12BQ47O1N

ESMIRTAZAPINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					G04V4G5LVK

8-HYDROXYMIRTAZAPINE, (S)-

METABOLITE -> PARENT

Interaction Type:

IN-VIVO

Qualification:

Scientific Literature

Related Record Type Details


					4685R51V7M

ACTIVE MOIETY

Amount: