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Details

Stereochemistry ACHIRAL
Molecular Formula 2C27H28N2.C4H4O4
Molecular Weight 877.1214
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C2C3=CC=CC=C3CN(CC4=CC=CC=C4)C5=CC=CC=C25.CN6CCC(CC6)=C7C8=CC=CC=C8CN(CC9=CC=CC=C9)C%10=CC=CC=C7%10

InChI

InChIKey=ICJKKMBOQGFTRB-KSBRXOFISA-N
InChI=1S/2C27H28N2.C4H4O4/c2*1-28-17-15-22(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*2-14H,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 Tue Apr 01 22:57:05 GMT 2025
Edited
by admin
on Tue Apr 01 22:57:05 GMT 2025
Record UNII
413QQF016A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EX-10-542A
Code English
5-BENZYL-11-(4-(N-METHYLPIPERIDYLENE))-5,6-DIHYDROMORPHANTHRIDINE HYDROGEN MALEATE
Preferred Name English
MORPHANTHRIDINE, 5-BENZYL-5,6-DIHYDRO-11-(1-METHYL-4-PIPERIDYLIDENE)-, MALEATE (2:1)
Systematic Name English
Code System Code Type Description
CAS
31909-67-8
Created by admin on Tue Apr 01 22:57:05 GMT 2025 , Edited by admin on Tue Apr 01 22:57:05 GMT 2025
PRIMARY
PUBCHEM
6444987
Created by admin on Tue Apr 01 22:57:05 GMT 2025 , Edited by admin on Tue Apr 01 22:57:05 GMT 2025
PRIMARY
FDA UNII
413QQF016A
Created by admin on Tue Apr 01 22:57:05 GMT 2025 , Edited by admin on Tue Apr 01 22:57:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID801340164
Created by admin on Tue Apr 01 22:57:05 GMT 2025 , Edited by admin on Tue Apr 01 22:57:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE