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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29NO2.ClH
Molecular Weight 327.889
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXAPROLOL HYDROCHLORIDE, (R)-

SMILES

Cl.CC(C)NC[C@@H](O)COC1=CC=CC=C1C2CCCCC2

InChI

InChIKey=ODWXZMXQBDEIBF-PKLMIRHRSA-N
InChI=1S/C18H29NO2.ClH/c1-14(2)19-12-16(20)13-21-18-11-7-6-10-17(18)15-8-4-3-5-9-15;/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3;1H/t16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H29NO2
Molecular Weight 291.4284
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
CSR79H0G2A
Record Status Validated (UNII)
Record Version