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Reference substance information

IUPAC name:
1-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol 1-[(1S)-2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol dihydrochloride
Synonyms
Names:
Didesmethylvenlafaxine hydrochloride
EC 919-482-2 assigned by ECHA
N,N-Didesmethylvenlafaxine hydrochloride
Identifier:
CAS number
130198-05-9
Identifier:
IUPAC name
1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride
Identifier:
other: SMILES notation
OC1(C(C2=CC=C(OC)C=C2)CN)CCCCC1.Cl
1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hydrochloride

CAS information

CAS number:
130198-05-9

Molecular and structural information

Molecular formula:
C15H24ClNO2
Molecular weight:
ca. 285.81
SMILES notation:
Cl.OC2(C(c1ccc(OC)cc1)CN)CCCCC2
InChl:
InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H
Structural formula:
Chemical structure