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Details

Stereochemistry RACEMIC
Molecular Formula C18H23NO2
Molecular Weight 285.3807
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTINAZOCINE

SMILES

CC1(C)[C@@H]2CC3=CC=C(O)C=C3[C@@]1(O)CCN2CCC#C

InChI

InChIKey=YEFFVIUQXXNVGG-WMZOPIPTSA-N
InChI=1S/C18H23NO2/c1-4-5-9-19-10-8-18(21)15-12-14(20)7-6-13(15)11-16(19)17(18,2)3/h1,6-7,12,16,20-21H,5,8-11H2,2-3H3/t16-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23NO2
Molecular Weight 285.3807
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:33:52 GMT 2023
Edited
by admin
on Fri Dec 15 16:33:52 GMT 2023
Record UNII
W11ET455ZI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTINAZOCINE
INN  
INN  
Official Name English
butinazocine [INN]
Common Name English
(±)-3-(3-BUTYNYL)-1,2,3,4,5,6-HEXAHYDRO-11,11-DIMETHYL-2,6-METHANO-3-BENZAZOCINE-6,8-DIOL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67413
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C80573
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
SMS_ID
100000088629
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID001024768
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
EVMPD
SUB06019MIG
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
WIKIPEDIA
Butinazocine
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
PUBCHEM
76972783
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
CAS
93821-75-1
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
INN
5674
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106183
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
FDA UNII
W11ET455ZI
Created by admin on Fri Dec 15 16:33:52 GMT 2023 , Edited by admin on Fri Dec 15 16:33:52 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY