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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO2
Molecular Weight 327.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTORPHANOL

SMILES

OC1=CC2=C(C[C@H]3N(CC4CCC4)CC[C@@]25CCCC[C@@]35O)C=C1

InChI

InChIKey=IFKLAQQSCNILHL-QHAWAJNXSA-N
InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29NO2
Molecular Weight 327.4605
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:15:52 UTC 2023
Edited
by admin
on Fri Dec 15 15:15:52 UTC 2023
Record UNII
QV897JC36D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTORPHANOL
INN   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
(-)-17-(CYCLOBUTYLMETHYL)MORPHINAN-3,14-DIOL
Systematic Name English
MORPHINAN-3,14-DIOL, 17-(CYCLOBUTYLMETHYL)-
Systematic Name English
BUTORPHANOL [USAN]
Common Name English
LEVO-BC-2627
Code English
butorphanol [INN]
Common Name English
BUTORPHANOL [MI]
Common Name English
BUTORPHANOL [VANDF]
Common Name English
Butorphanol [WHO-DD]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175692
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
NDF-RT N0000175686
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
NCI_THESAURUS C241
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
NCI_THESAURUS C1506
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
CFR 21 CFR 520.246
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
WHO-VATC QN02AF01
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
DEA NO. 9720
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
CFR 21 CFR 522.246
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
NDF-RT N0000175685
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
WHO-VATC QR05DA90
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
WHO-ATC N02AF01
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
LIVERTOX NBK547902
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
Code System Code Type Description
MESH
D002077
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
FDA UNII
QV897JC36D
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
CHEBI
3242
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
DRUG CENTRAL
454
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
EVMPD
SUB06035MIG
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
DRUG BANK
DB00611
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
IUPHAR
7591
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
MERCK INDEX
m2802
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL33986
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
255-808-8
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
LACTMED
Butorphanol
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
SMS_ID
100000081567
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID1022714
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
RXCUI
1841
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C61659
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
INN
3620
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
DAILYMED
QV897JC36D
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
WIKIPEDIA
BUTORPHANOL
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
PUBCHEM
5361092
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
CAS
42408-82-2
Created by admin on Fri Dec 15 15:15:52 UTC 2023 , Edited by admin on Fri Dec 15 15:15:52 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
BINDER->LIGAND
BINDING
TARGET -> AGONIST
TARGET -> AGONIST
Related Record Type Details
METABOLITE -> PARENT
MAJOR
METABOLITE -> PARENT
MINOR
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC