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Details

Stereochemistry RACEMIC
Molecular Formula C16H17ClN2.2ClH
Molecular Weight 345.694
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WY-5244

SMILES

Cl.Cl.ClC1=CC=C(C=C1)C2NCCNCC3=C2C=CC=C3

InChI

InChIKey=YSEKTJDZLUWDBU-UHFFFAOYSA-N
InChI=1S/C16H17ClN2.2ClH/c17-14-7-5-12(6-8-14)16-15-4-2-1-3-13(15)11-18-9-10-19-16;;/h1-8,16,18-19H,9-11H2;2*1H

HIDE SMILES / InChI

Molecular Formula C16H17ClN2
Molecular Weight 272.773
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:16:32 GMT 2023
Edited
by admin
on Fri Dec 15 15:16:32 GMT 2023
Record UNII
576L22D18T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WY-5244
Common Name English
2,5-BENZODIAZOCINE, 1-(4-CHLOROPHENYL)-1,2,3,4,5,6-HEXAHYDRO-, DIHYDROCHLORIDE
Systematic Name English
1-(4-CHLOROPHENYL)-1,2,3,4,5,6-HEXAHYDRO-2,5-BENZODIAZOCINE DIHYDROCHLORIDE
Systematic Name English
2,5-BENZODIAZOCINE, 1-(P-CHLOROPHENYL)-1,2,3,4,5,6-HEXAHYDRO-, DIHYDROCHLORIDE
Systematic Name English
1-(P-CHLOROPHENYL)-1,2,3,4,5,6-HEXAHYDRO-2,5-BENZODIAZOCINE DIHCL
Systematic Name English
WY 5244
Common Name English
2,5-BENZODIAZOCINE, 1-(4-CHLOROPHENYL)-1,2,3,4,5,6-HEXAHYDRO-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
576L22D18T
Created by admin on Fri Dec 15 15:16:32 GMT 2023 , Edited by admin on Fri Dec 15 15:16:32 GMT 2023
PRIMARY
PUBCHEM
26290
Created by admin on Fri Dec 15 15:16:32 GMT 2023 , Edited by admin on Fri Dec 15 15:16:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID70930022
Created by admin on Fri Dec 15 15:16:32 GMT 2023 , Edited by admin on Fri Dec 15 15:16:32 GMT 2023
PRIMARY
CAS
13822-05-4
Created by admin on Fri Dec 15 15:16:32 GMT 2023 , Edited by admin on Fri Dec 15 15:16:32 GMT 2023
PRIMARY