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Details

Stereochemistry ACHIRAL
Molecular Formula C27H28N2.C4H4O4
Molecular Weight 496.5968
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of EX-10-542A MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C2C3=C(CN(CC4=CC=CC=C4)C5=C2C=CC=C5)C=CC=C3

InChI

InChIKey=BLWWTVRWUXQWFB-BTJKTKAUSA-N
InChI=1S/C27H28N2.C4H4O4/c1-28-17-15-22(16-18-28)27-24-12-6-5-11-23(24)20-29(19-21-9-3-2-4-10-21)26-14-8-7-13-25(26)27;5-3(6)1-2-4(7)8/h2-14H,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C27H28N2
Molecular Weight 380.5246
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:09 GMT 2023
Edited
by admin
on Fri Dec 15 15:13:09 GMT 2023
Record UNII
2Q83U4I9A2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EX-10-542A MALEATE
Code English
5H-DIBENZ(B,E)AZEPINE, 6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-5-(PHENYLMETHYL)-, (Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
5-BENZYL-11-(4-(N-METHYLPIPERIDYLENE))-5,6-DIHYDROMORPHANTHRIDINE MALEATE
Systematic Name English
Code System Code Type Description
CAS
23239-59-0
Created by admin on Fri Dec 15 15:13:09 GMT 2023 , Edited by admin on Fri Dec 15 15:13:09 GMT 2023
PRIMARY
PUBCHEM
6433812
Created by admin on Fri Dec 15 15:13:09 GMT 2023 , Edited by admin on Fri Dec 15 15:13:09 GMT 2023
PRIMARY
FDA UNII
2Q83U4I9A2
Created by admin on Fri Dec 15 15:13:09 GMT 2023 , Edited by admin on Fri Dec 15 15:13:09 GMT 2023
PRIMARY
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