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Details

Stereochemistry RACEMIC
Molecular Formula C17H19N.ClH
Molecular Weight 273.8
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMEFADANE HYDROCHLORIDE, TRANS-

SMILES

Cl.CN(C)[C@H]1C[C@@H](C2=C1C=CC=C2)C3=CC=CC=C3

InChI

InChIKey=XLFKPSXGNJGVCH-PPPUBMIESA-N
InChI=1S/C17H19N.ClH/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;/h3-11,16-17H,12H2,1-2H3;1H/t16-,17+;/m1./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 C17H19N
Molecular Weight 237.3395
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:24:23 GMT 2023
Edited
by admin
on Sat Dec 16 00:24:23 GMT 2023
Record UNII
7WF9230P0L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMEFADANE HYDROCHLORIDE, TRANS-
Common Name English
1H-INDEN-1-AMINE, 2,3-DIHYDRO-N,N-DIMETHYL-3-PHENYL-, HYDROCHLORIDE, TRANS-
Systematic Name English
Code System Code Type Description
CAS
86946-43-2
Created by admin on Sat Dec 16 00:24:23 GMT 2023 , Edited by admin on Sat Dec 16 00:24:23 GMT 2023
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EPA CompTox
DTXSID30236012
Created by admin on Sat Dec 16 00:24:23 GMT 2023 , Edited by admin on Sat Dec 16 00:24:23 GMT 2023
PRIMARY
PUBCHEM
13543771
Created by admin on Sat Dec 16 00:24:23 GMT 2023 , Edited by admin on Sat Dec 16 00:24:23 GMT 2023
PRIMARY
FDA UNII
7WF9230P0L
Created by admin on Sat Dec 16 00:24:23 GMT 2023 , Edited by admin on Sat Dec 16 00:24:23 GMT 2023
PRIMARY