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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23NO2.ClH
Molecular Weight 297.82
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUFURALOL HYDROCHLORIDE, (-)-

SMILES

Cl.CCC1=C2OC(=CC2=CC=C1)[C@@H](O)CNC(C)(C)C

InChI

InChIKey=KJBONRGCLLBWCJ-ZOWNYOTGSA-N
InChI=1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H/t13-;/m0./s1

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 C16H23NO2
Molecular Weight 261.3593
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 08:53:16 UTC 2023
Edited
by admin
on Sat Dec 16 08:53:16 UTC 2023
Record UNII
WS779TX56C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUFURALOL HYDROCHLORIDE, (-)-
Common Name English
2-BENZOFURANMETHANOL, .ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-7-ETHYL-, HYDROCHLORIDE, (.ALPHA.S)
Systematic Name English
BUFURALOL (-)-HYDROCHLORIDE [MI]
Common Name English
L-BUFURALOL HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
46780913
Created by admin on Sat Dec 16 08:53:16 UTC 2023 , Edited by admin on Sat Dec 16 08:53:16 UTC 2023
PRIMARY
CAS
57704-10-6
Created by admin on Sat Dec 16 08:53:16 UTC 2023 , Edited by admin on Sat Dec 16 08:53:16 UTC 2023
PRIMARY
FDA UNII
WS779TX56C
Created by admin on Sat Dec 16 08:53:16 UTC 2023 , Edited by admin on Sat Dec 16 08:53:16 UTC 2023
PRIMARY
MERCK INDEX
m2755
Created by admin on Sat Dec 16 08:53:16 UTC 2023 , Edited by admin on Sat Dec 16 08:53:16 UTC 2023
PRIMARY Merck Index
Related Record Type Details
RACEMATE -> ENANTIOMER