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Details

Stereochemistry RACEMIC
Molecular Formula C18H27NO2.ClH
Molecular Weight 325.873
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTAVERINE HYDROCHLORIDE

SMILES

Cl.CCCCOC(=O)CC(N1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=JARLFDVYUFHWQL-UHFFFAOYSA-N
InChI=1S/C18H27NO2.ClH/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;1H

HIDE SMILES / InChI

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

Molecular Formula C18H27NO2
Molecular Weight 289.4125
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:22 UTC 2023
Edited
by admin
on Sat Dec 16 10:32:22 UTC 2023
Record UNII
12244O98K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTAVERINE HYDROCHLORIDE
MI  
Common Name English
NSC-88582
Code English
1-PIPERIDINEPROPANOIC ACID, .BETA.-PHENYL-, BUTYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
BUTAVERINE HYDROCHLORIDE [MI]
Common Name English
GEMORA
Brand Name English
BUTAVERINE HYDROCHLORIDE, (±)-
Common Name English
ESPASMO-GEMORA
Brand Name English
Code System Code Type Description
PUBCHEM
24189377
Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023
PRIMARY
MERCK INDEX
m601
Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023
PRIMARY Merck Index
NSC
88582
Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023
PRIMARY
CAS
17824-89-4
Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023
PRIMARY
FDA UNII
12244O98K2
Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE