Products for Research Use Only
RegisterLogin

Hydroxydehydro Nifedipine Carboxylate

CAT: 0013-GTR19192026Size: 2500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19192026Size:2500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Hydroxydehydro nifedipine carboxylate is a primary oxidative metabolite of the calcium channel blocker nifedipine. It is used in pharmacological research to study nifedipine's metabolism, pharmacokinetics, and activity in both in vitro and in vivo experimental models.
CAS Number
34783-31-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
COC (=O) c1c (C) nc (CO) c (C (O) =O) c1-c1ccccc1N (=O) =O
Molecular Formula
C16H14N2O7
Molecular Weight
346.295
Storage Conditions
-20°C
Notes
For research use only.

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
GTR19162749-01Nifedipine
GTR19177298-01Nifedipine
GTR19210914-01Nifedipine HCl
GTR19191247-01Dehydro Nifedipine
GTR19244083-01Dehydro Nifedipine
GTR19229721M-Nifedipine
GTR19223001-01Oseltamivir carboxylate HCl
GTR19261069-01Pyrroline-5-carboxylate
GTR19223295-01Lysine thiazolidine carboxylate
GTR19246156-01Ethyl oxazole-4-carboxylate

Alternative Products

CatalogName
MBS6111402-01Hydroxydehydro Nifedipine Carboxylate
TRC-H934503-50MGHydroxydehydro Nifedipine Carboxylate Sodium Salt
CS-O-10308Hydroxy Dehydro Nifedipine Carboxylate
B1988-50Nifedipine

Popular Products