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Details

Stereochemistry RACEMIC
Molecular Formula C19H22N2.C4H4O4
Molecular Weight 394.4635
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYLMIANSERIN MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1CCN2C(C1)C3=C(CC4=C2C=C(C)C=C4)C=CC=C3

InChI

InChIKey=AUNYKUAYDJKNAD-BTJKTKAUSA-N
InChI=1S/C19H22N2.C4H4O4/c1-14-7-8-16-12-15-5-3-4-6-17(15)19-13-20(2)9-10-21(19)18(16)11-14;5-3(6)1-2-4(7)8/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C19H22N2
Molecular Weight 278.3914
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 17:11:16 UTC 2019
Edited
by admin
on Tue Oct 22 17:11:16 UTC 2019
Record UNII
219TWN23HA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHYLMIANSERIN MALEATE
Common Name English
DIBENZO(C,F)PYRAZINO(1,2-A)AZEPINE, 1,2,3,4,10,14B-HEXAHYDRO-2,7-DIMETHYL-, (Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
DIBENZO(C,F)PYRAZINO(1,2-A)AZEPINE, 1,2,3,4,10,14B-HEXAHYDRO-2,7-DIMETHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
DIBENZO(C,F)PYRAZINO(1,2-A)AZEPINE, 1,2,3,4,10,14B-HEXAHYDRO-2,7-DIMETHYL-, (+/-)-, (Z)-2-BUTENEDIOATE (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
13753525
Created by admin on Tue Oct 22 17:11:16 UTC 2019 , Edited by admin on Tue Oct 22 17:11:16 UTC 2019
PRIMARY
CAS
85750-29-4
Created by admin on Tue Oct 22 17:11:16 UTC 2019 , Edited by admin on Tue Oct 22 17:11:16 UTC 2019
PRIMARY
CAS
57257-80-4
Created by admin on Tue Oct 22 17:11:16 UTC 2019 , Edited by admin on Tue Oct 22 17:11:16 UTC 2019
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
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PARENT -> SALT/SOLVATE