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

Early explorations of spider and scorpion venoms provided clues for the discovery of new classes of compounds, including delucemine, that act as neuroprotectants in animal models of stroke. This compound targets open NMDA receptor-operated calcium channels and blocks the channel. By blocking these channels, which open in response to the neurotransmitter glutamate, delucemine prevents excessive calcium influx during ischemia. This stabilizes cell chemistry and minimizes cell death. Delucemine attenuated short-term cognitive deficits and histopathological changes associated with traumatic brain injury. Delucemine improved measures of brain tissue edema and ion homeostasis.

Approval Year

Sample Use Guides

1 mg/kg at both 10 min and 4 h posttrauma
Route of Administration: Intravenous
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:42:30 GMT 2023
Edited
by admin
on Fri Dec 15 15:42:30 GMT 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 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL2110814
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
PUBCHEM
156420
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
CAS
186495-99-8
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80171909
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
SMS_ID
300000044537
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
USAN
LL-79
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
NCI_THESAURUS
C75170
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
FDA UNII
P110CQY44Z
Created by admin on Fri Dec 15 15:42:30 GMT 2023 , Edited by admin on Fri Dec 15 15:42:30 GMT 2023
PRIMARY
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