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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO4.ClH
Molecular Weight 393.904
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NALBUPHINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12OC3=C4C(C[C@H]5N(CC6CCC6)CC[C@@]14[C@@]5(O)CC[C@@H]2O)=CC=C3O

InChI

InChIKey=YZLZPSJXMWGIFH-BCXQGASESA-N
InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1

HIDE SMILES / InChI
Molecular Formula C21H27NO4
Molecular Weight 357.4434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:25:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:25:31 UTC 2023
Record UNII
ZU4275277R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NALBUPHINE HYDROCHLORIDE
MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
NALBUPHINE HYDROCHLORIDE [MI]
Common Name English
17-(Cyclobutylmethyl)-4,5α-epoxymorphinan-3,6α,14-triol hydrochloride
Systematic Name English
NALBUFINE HYDROCHLORIDE
Common Name English
NSC-757829
Code English
NALBUPHINE HYDROCHLORIDE [USAN]
Common Name English
NALBUPHINE HCL
Common Name English
NUBAIN
Brand Name English
NALBUPHINE HYDROCHLORIDE [VANDF]
Common Name English
NALBUPHINE HYDROCHLORIDE [MART.]
Common Name English
EN-2234A
Code English
MORPHINAN-3,6,14-TRIOL, 17-(CYCLOBUTYLMETHYL)-4,5-EPOXY-, HYDROCHLORIDE, (5.ALPHA.,6.ALPHA.)-
Systematic Name English
NALBUPHINE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
Nalbuphine hydrochloride [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67413
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
EU-Orphan Drug Nalbuphine hydrochloride
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
NCI_THESAURUS C1506
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID20177844
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
RXCUI
154985
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY RxNorm
EVMPD
SUB14626MIG
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
245-549-9
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
CHEBI
7455
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
NCI_THESAURUS
C47629
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
PUBCHEM
5360733
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
SMS_ID
100000088253
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
DRUG BANK
DBSALT000125
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
FDA UNII
ZU4275277R
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
NSC
757829
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
DAILYMED
ZU4275277R
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL895
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
CAS
23277-43-2
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY
MERCK INDEX
m7711
Created by admin on Fri Dec 15 15:25:31 UTC 2023 , Edited by admin on Fri Dec 15 15:25:31 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of Nalbuphine hydrochloride dihydrate
SOLVATE->ANHYDROUS
Structure of NALBUPHINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of NALBUPHINE
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966