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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H29ClN2O.ClH
Molecular Weight 421.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARA-CHLOROISOBUTYRYL FENTANYL HYDROCHLORIDE

SMILES

Cl.CC(C)C(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3

InChI

InChIKey=DJAQUBWSLSAESN-UHFFFAOYSA-N
InChI=1S/C23H29ClN2O.ClH/c1-18(2)23(27)26(21-10-8-20(24)9-11-21)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19;/h3-11,18,22H,12-17H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C23H29ClN2O
Molecular Weight 384.942
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 14:52:04 GMT 2023
Edited
by admin
on Sat Dec 16 14:52:04 GMT 2023
Record UNII
6BYC6BAU4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PARA-CHLOROISOBUTYRYL FENTANYL HYDROCHLORIDE
Common Name English
PROPANAMIDE, N-(4-CHLOROPHENYL)-2-METHYL-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
N-(4-CHLOROPHENYL)-N-(1-PHENETHYLPIPERIDIN-4-YL)ISOBUTYRAMIDE HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
6BYC6BAU4G
Created by admin on Sat Dec 16 14:52:04 GMT 2023 , Edited by admin on Sat Dec 16 14:52:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID101036801
Created by admin on Sat Dec 16 14:52:04 GMT 2023 , Edited by admin on Sat Dec 16 14:52:04 GMT 2023
PRIMARY
CAS
2306827-85-8
Created by admin on Sat Dec 16 14:52:04 GMT 2023 , Edited by admin on Sat Dec 16 14:52:04 GMT 2023
PRIMARY
PUBCHEM
146048044
Created by admin on Sat Dec 16 14:52:04 GMT 2023 , Edited by admin on Sat Dec 16 14:52:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY