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Details

Stereochemistry RACEMIC
Molecular Formula C17H26N2O2
Molecular Weight 290.4005
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-617

SMILES

CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(OC)C=C1

InChI

InChIKey=WLOBUUJURNEQCL-UHFFFAOYSA-N
InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C17H26N2O2
Molecular Weight 290.4005
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Verapamil: metabolism in cultures of primary human coronary arterial endothelial cells.
2003 Jul
Aerobic biodegradability of the calcium channel antagonist verapamil and identification of a microbial dead-end transformation product studied by LC-MS/MS.
2008 Jun
Synthesis and preclinical evaluation of [11C]D617, a metabolite of (R)-[11C]verapamil.
2012 May
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:22:15 UTC 2023
Edited
by admin
on Sat Dec 16 11:22:15 UTC 2023
Record UNII
L49D7PR96D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-617
Common Name English
Valeronitrile, 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(methylamino)-
Systematic Name English
VENLAFAXINE RELATED COMPOUND A FREE BASE
Common Name English
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine
Systematic Name English
(2RS)-2-(3,4-DIMETHOXYPHENYL)-5-(METHYLAMINO)-2-(1-METHYLETHYL)PENTANENITRILE
Systematic Name English
1-Isopropyl-1-N-methylpropylamino-(3,4-dimethoxyphenyl)acetonitrile
Systematic Name English
D-617, (RS)-
Code English
3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile
Systematic Name English
Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-
Systematic Name English
VERAPAMIL HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
L49D7PR96D
Created by admin on Sat Dec 16 11:22:16 UTC 2023 , Edited by admin on Sat Dec 16 11:22:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
251-895-1
Created by admin on Sat Dec 16 11:22:16 UTC 2023 , Edited by admin on Sat Dec 16 11:22:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID40891459
Created by admin on Sat Dec 16 11:22:16 UTC 2023 , Edited by admin on Sat Dec 16 11:22:16 UTC 2023
PRIMARY
PUBCHEM
93168
Created by admin on Sat Dec 16 11:22:16 UTC 2023 , Edited by admin on Sat Dec 16 11:22:16 UTC 2023
PRIMARY
CAS
34245-14-2
Created by admin on Sat Dec 16 11:22:16 UTC 2023 , Edited by admin on Sat Dec 16 11:22:16 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
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PARENT -> METABOLITE
22% 0f dose
MAJOR
URINE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP