Dehydro Nifedipine

CAT: 0024-sc-211226ASize: 2 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-211226ASize:2 mg

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CAS Number

67035-22-7

Chemical Information

Dehydronifedipine

Dehydronifedipine is a phenylpyridine.

CAS Number	67035-22-7
PubChem CID	128753
IUPAC Name	dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
Molecular Formula	C17H16N2O6
Molecular Weight	344.32
XLogP	2.8
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	492

SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3

InChIKey

UMQHJQGNGLQJPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67035-22-7

CID: 128753

Formula: C17H16N2O6

MW: 344.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.32
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	344.10083623
Monoisotopic Mass	344.10083623
Topological Polar Surface Area	111 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	492
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-3589A	Nifedipine
sc-3589	Nifedipine
sc-499654	Dehydronitroso Nifedipine
sc-477941	M-Nifedipine
sc-219373	Nifedipine-d6
sc-211614	Hydroxydehydro Nifedipine Carboxylate
sc-478431	M-Nifedipine-d6
sc-500193	Dehydro Lercanidipine
sc-207513	Dehydro Felodipine
sc-211223	Dehydro Isradipine

Catalog	Name
GTR19191247-01	Dehydro Nifedipine
007819-01	Dehydro Nifedipine (Nifedipine EP Impurity A)
HY-W019726R	Dehydro Nifedipine (Standard)
HY-W019726S-01	Dehydro Nifedipine-d6
MBS6120154-01	Dehydro Nifedipine N-Oxide
TRC-H825220-5MG	Hydroxy Dehydro Nifedipine Lactone
CS-O-10308	Hydroxy Dehydro Nifedipine Carboxylate
HY-W019726S1-01	Dehydro Nifedipine-13C, d3
271337-01	Dehydro nifedipine discontinued. See 007819
FN26213-01	Nifedipine