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Details

Stereochemistry ACHIRAL
Molecular Formula C19H28N2O.C4H4O4
Molecular Weight 416.5106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ASP-2205 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.COCCN1CCCC2=C1C(C3CC3)=C4CCNCCC4=C2

InChI

InChIKey=FGXRWPZGCBILMG-WLHGVMLRSA-N
InChI=1S/C19H28N2O.C4H4O4/c1-22-12-11-21-10-2-3-16-13-15-6-8-20-9-7-17(15)18(19(16)21)14-4-5-14;5-3(6)1-2-4(7)8/h13-14,20H,2-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C19H28N2O
Molecular Weight 300.4384
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 Sat Dec 16 19:10:13 UTC 2023
Edited
by admin
on Sat Dec 16 19:10:13 UTC 2023
Record UNII
KV7P7E4RQH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASP-2205 FUMARATE
Code English
ASP2205 FUMARATE
Code English
1H-PYRIDO(2,3-H)(3)BENZAZEPINE, 11-CYCLOPROPYL-2,3,4,6,7,8,9,10-OCTAHYDRO-1-(2-METHOXYETHYL)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1334440-10-6
Created by admin on Sat Dec 16 19:10:13 UTC 2023 , Edited by admin on Sat Dec 16 19:10:13 UTC 2023
PRIMARY
PUBCHEM
163203553
Created by admin on Sat Dec 16 19:10:13 UTC 2023 , Edited by admin on Sat Dec 16 19:10:13 UTC 2023
PRIMARY
FDA UNII
KV7P7E4RQH
Created by admin on Sat Dec 16 19:10:13 UTC 2023 , Edited by admin on Sat Dec 16 19:10:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY