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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25N3O3.C4H4O4
Molecular Weight 447.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AZALOXAN FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.O=C1NCCN1C2CCN(CC[C@H]3COC4=C(O3)C=CC=C4)CC2

InChI

InChIKey=WSOHLKKZABGAIH-YAKGRJRBSA-N
InChI=1S/C18H25N3O3.C4H4O4/c22-18-19-8-12-21(18)14-5-9-20(10-6-14)11-7-15-13-23-16-3-1-2-4-17(16)24-15;5-3(6)1-2-4(7)8/h1-4,14-15H,5-13H2,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C18H25N3O3
Molecular Weight 331.4094
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 15:48:54 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:54 UTC 2023
Record UNII
8605L38D80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZALOXAN FUMARATE
USAN  
USAN  
Official Name English
(S)-1-[1-[2-(1,4-Benzodioxan-2-yl)-ethyl]-4-piperidyl]-2-imidazolidinone fumarate (1:1)
Systematic Name English
2-IMIDAZOLIDINONE, 1-(1-(2-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)ETHYL)-4-PIPERIDINYL)-, (S)-, (E)-2-BUTENEDIOATE (1:1)
Common Name English
CGS-7135A
Code English
AZALOXAN FUMARATE [USAN]
Common Name English
CGS 7135A
Code English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2110640
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
PRIMARY
PUBCHEM
11954298
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
PRIMARY
NCI_THESAURUS
C72710
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
PRIMARY
FDA UNII
8605L38D80
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
PRIMARY
USAN
U-87
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
PRIMARY
CAS
86116-60-1
Created by admin on Fri Dec 15 15:48:54 UTC 2023 , Edited by admin on Fri Dec 15 15:48:54 UTC 2023
PRIMARY
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