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Nifedipine 10g

CAT: 0628-A10643-10000Size: 10000 mgDry Ice: NoHazardous: No
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CAT#:0628-A10643-10000Size:10000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21829-25-4

Chemical Information

Nifedipine

Nifedipine can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to state or federal government labeling requirements.

CAS Number21829-25-4
PubChem CID4485
IUPAC Namedimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC17H18N2O6
Molecular Weight346.3
XLogP2.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity608
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C17H18N2O6/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/h5-8,15,18H,1-4H3
InChIKey
HYIMSNHJOBLJNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nifedipine
CAS: 21829-25-4
CID: 4485
Formula: C17H18N2O6
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass346.11648630
Monoisotopic Mass346.11648630
Topological Polar Surface Area110 Ų
Heavy Atom Count25
Formal Charge0
Complexity608
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

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