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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO5
Molecular Weight 372.4295
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

[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=GVGLGOZIDCSQPN-MVUACNOGSA-N
InChI=1S/C21H23NO5/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/t14-,15+,17-,20-,21-/m0/s1/i3D3

HIDE SMILES / InChI

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 Tue Apr 01 17:02:07 GMT 2025
Edited
by admin
on Tue Apr 01 17:02:07 GMT 2025
Record UNII
326U6SBN78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIAMORPHINE, D3-
Preferred Name English
DIAMORPHINE, (N-METHYL-D3)-
Common Name English
MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-(METHYL-D3)-, 3,6-DIACETATE, (5.ALPHA.,6.ALPHA.)-
Systematic Name English
HEROIN-D3
Common Name English
Code System Code Type Description
PUBCHEM
46781685
Created by admin on Tue Apr 01 17:02:07 GMT 2025 , Edited by admin on Tue Apr 01 17:02:07 GMT 2025
PRIMARY
FDA UNII
326U6SBN78
Created by admin on Tue Apr 01 17:02:07 GMT 2025 , Edited by admin on Tue Apr 01 17:02:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID601344691
Created by admin on Tue Apr 01 17:02:07 GMT 2025 , Edited by admin on Tue Apr 01 17:02:07 GMT 2025
PRIMARY
CAS
219533-68-3
Created by admin on Tue Apr 01 17:02:07 GMT 2025 , Edited by admin on Tue Apr 01 17:02:07 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT