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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27NO5.ClH
Molecular Weight 469.957
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 14-PHENYLACETOXYCODEINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@H](C4)[C@]5(OC(=O)CC6=CC=CC=C6)C=C[C@@H]2O

InChI

InChIKey=BNXMFCPQQXDGKG-BKTSAOQWSA-N
InChI=1S/C26H27NO5.ClH/c1-27-13-12-25-22-17-8-9-19(30-2)23(22)31-24(25)18(28)10-11-26(25,20(27)15-17)32-21(29)14-16-6-4-3-5-7-16;/h3-11,18,20,24,28H,12-15H2,1-2H3;1H/t18-,20+,24-,25-,26+;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C26H27NO5
Molecular Weight 433.4963
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:39:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:50 GMT 2023
Record UNII
7NP96HTA0I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
14-PHENYLACETOXYCODEINE HYDROCHLORIDE
Common Name English
14-PHENYLACETOXYCODEINE HCL
Common Name English
CODEINE, 14-HYDROXY-, 14-PHENYLACETATE, HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
7NP96HTA0I
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
PUBCHEM
122173927
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
CAS
103443-77-2
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE