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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21NO4
Molecular Weight 351.3957
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APOMORPHINE DIACETATE

SMILES

CN1CCC2=C3[C@H]1CC4=CC=C(OC(C)=O)C(OC(C)=O)=C4C3=CC=C2

InChI

InChIKey=PJAGGJPKGNYFJH-QGZVFWFLSA-N
InChI=1S/C21H21NO4/c1-12(23)25-18-8-7-15-11-17-19-14(9-10-22(17)3)5-4-6-16(19)20(15)21(18)26-13(2)24/h4-8,17H,9-11H2,1-3H3/t17-/m1/s1

HIDE SMILES / InChI
Molecular Formula C21H21NO4
Molecular Weight 351.3957
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Patents

Patents

20040081624
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:48:34 GMT 2025
Edited
by admin
on Mon Mar 31 18:48:34 GMT 2025
Record UNII
1USW70QZGV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APOMORPHINE DIACETATE
Common Name English
(6AR)-5,6,6A,7-TETRAHYDRO-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-10,11-DIOL DIACETATE (ESTER)
Preferred Name English
6A.BETA.-APORPHINE-10,11-DIOL DIACETATE (ESTER)
Common Name English
APOMORPHINE DIACETATE (ESTER) [MI]
Common Name English
DIACETYLAPOMORPHINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66884
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID40210944
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
PRIMARY
NCI_THESAURUS
C83535
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
PRIMARY
PUBCHEM
201536
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
PRIMARY
FDA UNII
1USW70QZGV
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
PRIMARY
MERCK INDEX
m2003
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
PRIMARY Merck Index
CAS
6191-56-6
Created by admin on Mon Mar 31 18:48:34 GMT 2025 , Edited by admin on Mon Mar 31 18:48:34 GMT 2025
PRIMARY
Related Record Type Details
Structure of APOMORPHINE
METABOLITE ACTIVE -> PRODRUG
NIH
NCATS
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