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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O.ClH
Molecular Weight 330.852
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CNCCC[C@]1(C)C(=O)N(C2=CC=CC=C12)C3=CC=CC=C3

InChI

InChIKey=DDOCDXCKSVDRHL-FYZYNONXSA-N
InChI=1S/C19H22N2O.ClH/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15;/h3-7,9-12,20H,8,13-14H2,1-2H3;1H/t19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H22N2O
Molecular Weight 294.3908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:09:12 GMT 2023
Edited
by admin
on Fri Dec 15 18:09:12 GMT 2023
Record UNII
3CY962A0BF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMEDALIN HYDROCHLORIDE, (S)-
Common Name English
2H-INDOL-2-ONE, 1,3-DIHYDRO-3-METHYL-3-(3-(METHYLAMINO)PROPYL)-1-PHENYL-, HYDROCHLORIDE, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
3CY962A0BF
Created by admin on Fri Dec 15 18:09:12 GMT 2023 , Edited by admin on Fri Dec 15 18:09:12 GMT 2023
PRIMARY
PUBCHEM
76965832
Created by admin on Fri Dec 15 18:09:12 GMT 2023 , Edited by admin on Fri Dec 15 18:09:12 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER