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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21NO4.ClH.3H2O
Molecular Weight 405.87
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYCODONE HYDROCHLORIDE TRIHYDRATE

SMILES

O.O.O.Cl.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2=O)=CC=C3OC

InChI

InChIKey=NJSQJUCEARTFMD-IISFROEKSA-N
InChI=1S/C18H21NO4.ClH.3H2O/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;;;;/h3-4,13,16,21H,5-9H2,1-2H3;1H;3*1H2/t13-,16+,17+,18-;;;;/m1..../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
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

Molecular Formula C18H21NO4
Molecular Weight 315.3636
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:12:41 UTC 2023
Edited
by admin
on Sat Dec 16 05:12:41 UTC 2023
Record UNII
4P6424D07T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYCODONE HYDROCHLORIDE TRIHYDRATE
Common Name English
OXYCODONE HYDROCHLORIDE HYDRATE
JAN  
Common Name English
Oxycodone hydrochloride trihydrate [WHO-DD]
Common Name English
OXYCODONE HYDROCHLORIDE HYDRATE [JAN]
Common Name English
MORPHINAN-6-ONE, 4,5-EPOXY-14-HYDROXY-3-METHOXY-17-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:3), (5.ALPHA.)-
Common Name English
MORPHINAN-6-ONE, 4,5-EPOXY-14-HYDROXY-3-METHOXY-17-METHYL-, HYDROCHLORIDE, TRIHYDRATE, (5.ALPHA.)-
Systematic Name English
Code System Code Type Description
EVMPD
SUB32402
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
CAS
591229-40-2
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID50207865
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
EVMPD
SUB179765
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
FDA UNII
4P6424D07T
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
SMS_ID
100000165908
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
PUBCHEM
23724988
Created by admin on Sat Dec 16 05:12:41 UTC 2023 , Edited by admin on Sat Dec 16 05:12:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY