U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N2O.C2H2O4
Molecular Weight 502.6014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PHENYLFENTANYL OXALATE

SMILES

OC(=O)C(O)=O.CCC(=O)N(C1=CC=CC=C1)C2(CCN(CCC3=CC=CC=C3)CC2)C4=CC=CC=C4

InChI

InChIKey=CCUXOGRNTFOWQZ-UHFFFAOYSA-N
InChI=1S/C28H32N2O.C2H2O4/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24;3-1(4)2(5)6/h3-17H,2,18-23H2,1H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula C28H32N2O
Molecular Weight 412.5665
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:16:57 GMT 2023
Record UNII
YDS69BQZ9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PHENYLFENTANYL OXALATE
Common Name English
PROPANAMIDE, N-PHENYL-N-(4-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-, ETHANEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
YDS69BQZ9R
Created by admin on Sat Dec 16 10:16:57 GMT 2023 , Edited by admin on Sat Dec 16 10:16:57 GMT 2023
PRIMARY
CAS
120657-00-3
Created by admin on Sat Dec 16 10:16:57 GMT 2023 , Edited by admin on Sat Dec 16 10:16:57 GMT 2023
NON-SPECIFIC STOICHIOMETRY
EPA CompTox
DTXSID501036760
Created by admin on Sat Dec 16 10:16:57 GMT 2023 , Edited by admin on Sat Dec 16 10:16:57 GMT 2023
PRIMARY
CAS
122822-98-4
Created by admin on Sat Dec 16 10:16:57 GMT 2023 , Edited by admin on Sat Dec 16 10:16:57 GMT 2023
PRIMARY
PUBCHEM
119026032
Created by admin on Sat Dec 16 10:16:57 GMT 2023 , Edited by admin on Sat Dec 16 10:16:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY