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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO5.ClH
Molecular Weight 408.89
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIAMORPHINE HYDROCHLORIDE (N-METHYL-D3)-

SMILES

Cl.[2H]C([2H])([2H])N1CC[C@@]23[C@H]4OC5=C2C(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)=CC=C5OC(C)=O

InChI

InChIKey=FZJYQGFGNHGSFX-QXTPPCRASA-N
InChI=1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1/i3D3;

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 C21H23NO5
Molecular Weight 372.4295
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 Mon Mar 31 18:07:35 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:35 GMT 2025
Record UNII
XA9UBM2P64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEROIN D3 HYDROCHLORIDE
Preferred Name English
DIAMORPHINE HYDROCHLORIDE (N-METHYL-D3)-
Common Name English
HEROIN-D3.HCL
Common Name English
Code System Code Type Description
PUBCHEM
167713227
Created by admin on Mon Mar 31 18:07:35 GMT 2025 , Edited by admin on Mon Mar 31 18:07:35 GMT 2025
PRIMARY
FDA UNII
XA9UBM2P64
Created by admin on Mon Mar 31 18:07:35 GMT 2025 , Edited by admin on Mon Mar 31 18:07:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE