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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO3.H2O
Molecular Weight 305.3688
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROMORPHINE MONOHYDRATE

SMILES

O.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)=CC=C3O

InChI

InChIKey=AEUDPNLYBQEXMH-VYKNHSEDSA-N
InChI=1S/C17H21NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3;1H2/t10-,11+,13-,16-,17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H21NO3
Molecular Weight 287.3535
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:00:04 UTC 2023
Edited
by admin
on Sat Dec 16 04:00:04 UTC 2023
Record UNII
NU189G5QU4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROMORPHINE MONOHYDRATE
MI  
Common Name English
DIHYDROMORPHINE MONOHYDRATE [MI]
Common Name English
MORPHINAN-3,6-DIOL, 4,5-EPOXY-17-METHYL-, MONOHYDRATE, (5.ALPHA.,6.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
68487363
Created by admin on Sat Dec 16 04:00:04 UTC 2023 , Edited by admin on Sat Dec 16 04:00:04 UTC 2023
PRIMARY
MERCK INDEX
m4464
Created by admin on Sat Dec 16 04:00:04 UTC 2023 , Edited by admin on Sat Dec 16 04:00:04 UTC 2023
PRIMARY Merck Index
FDA UNII
NU189G5QU4
Created by admin on Sat Dec 16 04:00:04 UTC 2023 , Edited by admin on Sat Dec 16 04:00:04 UTC 2023
PRIMARY
CAS
65943-40-0
Created by admin on Sat Dec 16 04:00:04 UTC 2023 , Edited by admin on Sat Dec 16 04:00:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID60216165
Created by admin on Sat Dec 16 04:00:04 UTC 2023 , Edited by admin on Sat Dec 16 04:00:04 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE