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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H31NO9.ClH
Molecular Weight 646.083
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASALHYDROMORPHONE HYDROCHLORIDE

SMILES

Cl.[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=BQOLRGIWWHXAEF-MFWDCWMPSA-N
InChI=1S/C35H31NO9.ClH/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;1H/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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:40:46 GMT 2023
Edited
by admin
on Sat Dec 16 10:40:46 GMT 2023
Record UNII
NA139C416X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASALHYDROMORPHONE HYDROCHLORIDE
USAN  
Official Name English
KP511 HC
Code English
KP-511 HYDROCHLORIDE
Code English
KP511 HYDROCHLORIDE
Code English
ASALHYDROMORPHONE HYDROCHLORIDE [USAN]
Common Name English
MORPHINAN-3,6-DIOL, 6,7-DIDEHYDRO-4,5-EPOXY-17-METHYL-, 3,6-BIS(2-(ACETYLOXY)BENZOATE), HYDROCHLORIDE (1:1), (5.ALPHA.)-
Systematic Name English
17- METHYL -6,7 -DIDEHYDRO- 4,5.ALPHA. -EPOXYMORPHINAN- 3,6 -DIYL BIS(2 - (ACETYLOXY )BENZOATE), HYDROCHLORIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C142934
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
PRIMARY
SMS_ID
100000183621
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
PRIMARY
USAN
EF-38
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
PRIMARY
PUBCHEM
131709261
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
PRIMARY
FDA UNII
NA139C416X
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
PRIMARY
CAS
1431530-07-2
Created by admin on Sat Dec 16 10:40:46 GMT 2023 , Edited by admin on Sat Dec 16 10:40:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY