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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18ClF3N2O.ClH
Molecular Weight 347.204
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CC(C)(C)NC[C@H](O)C1=CC(Cl)=C(N)C(=C1)C(F)(F)F

InChI

InChIKey=MMCDXJOMPMIKGP-PPHPATTJSA-N
InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H18ClF3N2O
Molecular Weight 310.743
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:21:24 GMT 2023
Edited
by admin
on Sat Dec 16 05:21:24 GMT 2023
Record UNII
RNY00R68UB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MABUTEROL HYDROCHLORIDE, (-)-
Common Name English
BENZENEMETHANOL, 4-AMINO-3-CHLORO-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-5-(TRIFLUOROMETHYL)-, MONOHYDROCHLORIDE, (.ALPHA.R)-
Common Name English
MABUTEROL L-FORM HYDROCHLORIDE [MI]
Common Name English
MABUTEROL HYDROCHLORIDE, (R)-
Common Name English
L-MABUTEROL HYDROCHLORIDE
Common Name English
BENZENEMETHANOL, 4-AMINO-3-CHLORO-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-5-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.R)-
Common Name English
MABUTEROL MONOHYDROCHLORIDE, L-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20241913
Created by admin on Sat Dec 16 05:21:24 GMT 2023 , Edited by admin on Sat Dec 16 05:21:24 GMT 2023
PRIMARY
FDA UNII
RNY00R68UB
Created by admin on Sat Dec 16 05:21:24 GMT 2023 , Edited by admin on Sat Dec 16 05:21:24 GMT 2023
PRIMARY
CAS
95656-55-6
Created by admin on Sat Dec 16 05:21:24 GMT 2023 , Edited by admin on Sat Dec 16 05:21:24 GMT 2023
PRIMARY
MERCK INDEX
m6973
Created by admin on Sat Dec 16 05:21:24 GMT 2023 , Edited by admin on Sat Dec 16 05:21:24 GMT 2023
PRIMARY Merck Index
PUBCHEM
71587357
Created by admin on Sat Dec 16 05:21:24 GMT 2023 , Edited by admin on Sat Dec 16 05:21:24 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER