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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27NO2
Molecular Weight 289.4125
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTAVERINE, (S)-

SMILES

CCCCOC(=O)C[C@H](N1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=WQDZHQZKJMNOAY-KRWDZBQOSA-N
InChI=1S/C18H27NO2/c1-2-3-14-21-18(20)15-17(16-10-6-4-7-11-16)19-12-8-5-9-13-19/h4,6-7,10-11,17H,2-3,5,8-9,12-15H2,1H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H27NO2
Molecular Weight 289.4125
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:50:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:50:59 GMT 2023
Record UNII
75FJ0Y447N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTAVERINE, (S)-
Common Name English
1-PIPERIDINEPROPANOIC ACID, .BETA.-PHENYL-, BUTYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
75FJ0Y447N
Created by admin on Sat Dec 16 10:51:00 GMT 2023 , Edited by admin on Sat Dec 16 10:51:00 GMT 2023
PRIMARY
PUBCHEM
40479640
Created by admin on Sat Dec 16 10:51:00 GMT 2023 , Edited by admin on Sat Dec 16 10:51:00 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER