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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30N2O2.ClH
Molecular Weight 414.968
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CCN1C[C@@H](CCN2CCOCC2)C(C1=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=MBGXILHMHYLZJT-VZYDHVRKSA-N
InChI=1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H/t22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C24H30N2O2
Molecular Weight 378.5072
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
FF8HY4CCY7
Record Status Validated (UNII)
Record Version