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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H24ClN.ClH
Molecular Weight 302.282
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLSIBUTRAMINE HYDROCHLORIDE, (S)-

SMILES

Cl.CN[C@@H](CC(C)C)C1(CCC1)C2=CC=C(Cl)C=C2

InChI

InChIKey=OUVFHVJVFLFXPQ-RSAXXLAASA-N
InChI=1S/C16H24ClN.ClH/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13;/h5-8,12,15,18H,4,9-11H2,1-3H3;1H/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C16H24ClN
Molecular Weight 265.821
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
M1R4297G8O
Record Status Validated (UNII)
Record Version