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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

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

Approval Year

Unknown
86413
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
ACTIVE MOIETY
Structure of MIRTAZAPINE
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