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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO4
Molecular Weight 357.4434
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NALBUPHINE

SMILES

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

InChI

InChIKey=NETZHAKZCGBWSS-CEDHKZHLSA-N
InChI=1S/C21H27NO4/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/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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:35:40 UTC 2023
Edited
by admin
on Sat Dec 16 16:35:40 UTC 2023
Record UNII
L2T84IQI2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NALBUPHINE
INN   MI   VANDF   WHO-DD  
INN  
Official Name English
17-(CYCLOBUTYLMETHYL)-4,5.ALPHA.-EPOXYMORPHINAN-3,6.ALPHA.,14-TRIOL
Systematic Name English
NALBUPHINE [MI]
Common Name English
INTAPAN
Brand Name English
NALBUPHINE [VANDF]
Common Name English
nalbuphine [INN]
Common Name English
Nalbuphine [WHO-DD]
Common Name English
MORPHINAN-3,6,14-TRIOL, 17-(CYCLOBUTYLMETHYL)-4,5-EPOXY-
Systematic Name English
Classification Tree Code System Code
NDF-RT N0000175685
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
WHO-ATC N02AF02
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
WHO-VATC QN02AF02
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
NDF-RT N0000175692
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
NCI_THESAURUS C67413
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
NCI_THESAURUS C1506
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
NDF-RT N0000175686
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
LIVERTOX 662
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
Code System Code Type Description
WIKIPEDIA
NALBUPHINE
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
ChEMBL
CHEMBL895
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
CHEBI
7454
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
NCI_THESAURUS
C61854
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
LACTMED
Nalbuphine
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
INN
2623
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
MESH
D009266
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
DAILYMED
L2T84IQI2K
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
IUPHAR
1663
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
RXCUI
7238
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY RxNorm
FDA UNII
L2T84IQI2K
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
MERCK INDEX
m7711
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID8023345
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
CAS
20594-83-6
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
243-901-6
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
SMS_ID
100000084460
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
PUBCHEM
5311304
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
EVMPD
SUB09137MIG
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
DRUG BANK
DB00844
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
DRUG CENTRAL
1874
Created by admin on Sat Dec 16 16:35:41 UTC 2023 , Edited by admin on Sat Dec 16 16:35:41 UTC 2023
PRIMARY
Related Record Type Details
MU-TYPE OPIOID RECEPTOR
TARGET -> INHIBITOR
Structure of NALBUPHINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
DELTA-TYPE OPIOID RECEPTOR
TARGET -> INHIBITOR
Structure of Nalbuphine hydrochloride dihydrate
SALT/SOLVATE -> PARENT
KAPPA-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
Related Record Type Details
Structure of DINALBUPHINE SEBACATE
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
Structure of NALBUPHINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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