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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H31NO9
Molecular Weight 609.6219
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASALHYDROMORPHONE

SMILES

[H][C@@]12OC3=C(OC(=O)C4=C(OC(C)=O)C=CC=C4)C=CC5=C3[C@@]16CCN(C)[C@]([H])(C5)[C@]6([H])CC=C2OC(=O)C7=C(OC(C)=O)C=CC=C7

InChI

InChIKey=XPLFWDWDCNJVCV-ATPTVOOISA-N
InChI=1S/C35H31NO9/c1-19(37)41-26-10-6-4-8-22(26)33(39)43-28-14-12-21-18-25-24-13-15-29(32-35(24,16-17-36(25)3)30(21)31(28)45-32)44-34(40)23-9-5-7-11-27(23)42-20(2)38/h4-12,14-15,24-25,32H,13,16-18H2,1-3H3/t24-,25+,32-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H31NO9
Molecular Weight 609.6219
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 Thu Jul 06 16:15:12 UTC 2023
Edited
by admin
on Thu Jul 06 16:15:12 UTC 2023
Record UNII
8YIM5E5C2C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASALHYDROMORPHONE
USAN   INN  
Official Name English
ASALHYDROMORPHONE [USAN]
Common Name English
MORPHINAN-3,6-DIOL, 6,7-DIDEHYDRO-4,5-EPOXY-17-METHYL-, 3,6-BIS(2-(ACETYLOXY)BENZOATE), (5.ALPHA.)-
Systematic Name English
KP-511
Code English
asalhydromorphone [INN]
Common Name English
KP511
Code English
17-Methyl-6,7-didehydro-4,5α-epoxymorphinan-3,6-diyl bis[2-(acetyloxy)benzoate]
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
Code System Code Type Description
PUBCHEM
89626863
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
USAN
EF-37
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
NCI_THESAURUS
C142933
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
INN
10790
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
SMS_ID
100000183560
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
CAS
1431529-94-0
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
FDA UNII
8YIM5E5C2C
Created by admin on Thu Jul 06 16:15:12 UTC 2023 , Edited by admin on Thu Jul 06 16:15:12 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY