U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H17F2N.ClH
Molecular Weight 297.771
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELUCEMINE HYDROCHLORIDE

SMILES

Cl.CNCCC(C1=CC(F)=CC=C1)C2=CC(F)=CC=C2

InChI

InChIKey=MGNMVYXIKDNAKK-UHFFFAOYSA-N
InChI=1S/C16H17F2N.ClH/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13;/h2-7,10-11,16,19H,8-9H2,1H3;1H

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 C16H17F2N
Molecular Weight 261.3097
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 15:42:30 UTC 2023
Edited
by admin
on Fri Dec 15 15:42:30 UTC 2023
Record UNII
P110CQY44Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELUCEMINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
NPS 1506
Code English
DELUCEMINE HCL
Common Name English
DELUCEMINE HYDROCHLORIDE [USAN]
Common Name English
NPS-1506
Code English
NPS-1506 HYDROCHLORIDE
Code English
NPS-1506 HCL
Code English
3,3-BIS-(M-FLUOROPHENYL)-N-METHYLPROPYLAMINE HYDROCHLORIDE
Systematic Name English
BENZENEPROPANAMINE, 3-FLUORO-.GAMMA.-(3-FLUOROPHENYL)-N-METHYL-, HYDROCHLORIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2110814
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
PUBCHEM
156420
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
CAS
186495-99-8
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID80171909
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
SMS_ID
300000044537
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
USAN
LL-79
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
NCI_THESAURUS
C75170
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
FDA UNII
P110CQY44Z
Created by admin on Fri Dec 15 15:42:30 UTC 2023 , Edited by admin on Fri Dec 15 15:42:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY