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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23NS.ClH
Molecular Weight 345.929
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MEDOSULEPINE HYDROCHLORIDE, (Z)-

SMILES

Cl.CN(C)CC\C=C1\C2=CC=CC=C2CSC3=CC=C(C)C=C13

InChI

InChIKey=YLXMOQSKRGADRB-NAIZSXBXSA-N
InChI=1S/C20H23NS.ClH/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20;/h4-5,7-11,13H,6,12,14H2,1-3H3;1H/b18-9-;

HIDE SMILES / InChI

Molecular Formula C20H23NS
Molecular Weight 309.468
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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
624KTO4SCL
Record Status Validated (UNII)
Record Version