Products for Research Use Only
RegisterLogin

Nifedipine metabolite

CAT: 1596-AR-N01485-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-N01485-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
34783-31-8
Synonyms
2- (hydroxymethyl) -5- (methoxycarbonyl) -6-methyl-4- (2-nitrophenyl) nicotinic acid;2- (Hydroxymethyl) -6-methyl-4- (2-nitrophenyl) -3,5-pyridinedicarboxylic Acid 5-Methyl Ester;4- (2-Nitrophenyl) -2-hydroxymethyl-5-methoxycarbonyl-6-methylpyridine-3-carboxylic Acid; Hydroxydehydro Nifedipine Carboxylate
Molecular Formula
C16H14N2O7
Molecular Weight
346.3
API Name
Nifedipine

Chemical Information

Hydroxydehydro Nifedipine Carboxylate

3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester is a phenylpyridine.

CAS Number34783-31-8
PubChem CID13599653
IUPAC Name2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid
Molecular FormulaC16H14N2O7
Molecular Weight346.29
XLogP1.2
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity521
SMILES
CC1=C(C(=C(C(=N1)CO)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)
InChIKey
ARDQNVJJIRIJPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxydehydro Nifedipine Carboxylate
CAS: 34783-31-8
CID: 13599653
Formula: C16H14N2O7
MW: 346.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.29
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass346.08010079
Monoisotopic Mass346.08010079
Topological Polar Surface Area143 Ų
Heavy Atom Count25
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-N01489-01Nifedipine
AR-B01167-01Nifedipine
AR-N01484-01Nifedipine-d6
AR-B01164-01M-Nifedipine
AR-N01486-01Dehydro Nifedipine
AR-N08671-01Nifedipine Impurity 23
AR-N08164-01N-Nitroso Nifedipine
AR-N01496-01Nifedipine Impurity 6
AR-N08669-01Nifedipine Impurity 19
AR-N08663-01Nifedipine Impurity 21

Alternative Products

CatalogName
B1988-50Nifedipine

Popular Products