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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H56N2O4.ClH
Molecular Weight 617.302
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CCCCCCCCCCCC[C@@](CCCN(C)CCC1=CC=CC(OC)=C1)(C#N)C2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=UFADIJNJESEOGE-SKRAEFHRSA-N
InChI=1S/C36H56N2O4.ClH/c1-7-8-9-10-11-12-13-14-15-16-22-36(29-37,31-27-33(40-4)35(42-6)34(28-31)41-5)23-18-24-38(2)25-21-30-19-17-20-32(26-30)39-3;/h17,19-20,26-28H,7-16,18,21-25H2,1-6H3;1H/t36-;/m1./s1

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 C36H56N2O4
Molecular Weight 580.8408
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

Approval Year

Substance Class Chemical
Record UNII
61O46R955F
Record Status Validated (UNII)
Record Version