MIRTAZAPINE HEMIHYDRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	2C17H19N3.H2O
Molecular Weight	548.721
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MIRTAZAPINE HEMIHYDRATE

Structure Search

SMILES

O.CN1CCN2C(C1)C3=C(CC4=C2N=CC=C4)C=CC=C3.CN5CCN6C(C5)C7=C(CC8=C6N=CC=C8)C=CC=C7

InChI

InChIKey=CKQWBUBEACSWKW-UHFFFAOYSA-N

InChI=1S/2C17H19N3.H2O/c2*1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;/h2*2-8,16H,9-12H2,1H3;1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C17H19N3
Molecular Weight	265.3529
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:54:43 UTC 2023` Edited by `admin` on `Fri Dec 15 16:54:43 UTC 2023`
Record UNII	8Z5UNK8A61
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MIRTAZAPINE HEMIHYDRATE

Common Name

English

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

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66885

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

Code System Code Type Description

FDA UNII

8Z5UNK8A61

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

CAS

341512-89-8

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

EVMPD

SUB48264

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

RXCUI

1992054

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

PUBCHEM

53476253

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

SMS_ID

100000132792

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

DAILYMED

8Z5UNK8A61

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

NCI_THESAURUS

C87211

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

PRIMARY

CAS

341512-90-1

Created by admin on Fri Dec 15 16:54:43 UTC 2023 , Edited by admin on Fri Dec 15 16:54:43 UTC 2023

NON-SPECIFIC STOICHIOMETRY

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