ESMIRTAZAPINE MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19N3.C4H4O4
Molecular Weight	381.425
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.[H][C@]12CN(C)CCN1C3=C(CC4=C2C=CC=C4)C=CC=N3

InChI

InChIKey=RPUBHMMISKEXSR-MLCLTIQSSA-N

InChI=1S/C17H19N3.C4H4O4/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;5-3(6)1-2-4(7)8/h2-8,16H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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 `Fri Dec 15 15:45:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:45:52 UTC 2023`
Record UNII	I2U18E6JKA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESMIRTAZAPINE MALEATE

Official Name

English

Esmirtazapine maleate [WHO-DD]

Common Name

English

(+)-(14BS)-2-METHYL-1,2,3,4,10,14B-HEXAHYDROPYRAZINO(2,1-A)PYRIDO(2,3-C)(2)BENZAZEPINE (2Z)-BUTENEDIOATE

Common Name

English

ORG-50081

Code

English

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

Common Name

English

ORG 50081

Code

English

MIRTAZAPINE MALEATE, (S)-

Common Name

English

ESMIRTAZAPINE MALEATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756