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Details

Stereochemistry ACHIRAL
Molecular Formula C26H25Cl3N2O.ClH
Molecular Weight 524.309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HETOLIN HYDROCHLORIDE

SMILES

Cl.CN1CCN(CC1)C(=O)CC(C2=CC=C(Cl)C=C2)(C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=WAHLMMKQTIGONH-UHFFFAOYSA-N
InChI=1S/C26H25Cl3N2O.ClH/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21;/h2-13H,14-18H2,1H3;1H

HIDE SMILES / InChI

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

Molecular Formula C26H25Cl3N2O
Molecular Weight 487.849
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
81262DMK68
Record Status Validated (UNII)
Record Version