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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31NO3
Molecular Weight 417.5399
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASOCAINOL, (S)-

SMILES

[H][C@]2(CCC1=CC=CC=C1)CC3=CC=C(OC)C(O)=C3C4=C(CCN2C)C=CC(OC)=C4

InChI

InChIKey=IORHSKBXWWSQME-QFIPXVFZSA-N
InChI=1S/C27H31NO3/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31NO3
Molecular Weight 417.5399
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
12CSL3P9F8
Record Status Validated (UNII)
Record Version