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Dehydro Nifedipine-d6

CAT: 0572-TRC-D229802-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229802-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125464-52-0
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OC(=O)c1c(C)nc(C)c(C(=O)OC([2H])([2H])[2H])c1c2ccccc2[N+](=O)[O-]
Molecular Formula
C17H10D6N2O6
Molecular Weight
350.36
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dehydro Nifedipine-d6
CAS Number125464-52-0
PubChem CID45038793
IUPAC Namebis(trideuteriomethyl) 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
Molecular FormulaC17H16N2O6
Molecular Weight350.35
XLogP2.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity492
SMILES
[2H]C([2H])([2H])OC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C
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/i3D3,4D3
InChIKey
UMQHJQGNGLQJPF-LIJFRPJRSA-N
Chemical Structure
2D Structure
2D structure of Dehydro Nifedipine-d6
CAS: 125464-52-0
CID: 45038793
Formula: C17H16N2O6
MW: 350.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.35
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass350.13849671
Monoisotopic Mass350.13849671
Topological Polar Surface Area111 Ų
Heavy Atom Count25
Formal Charge0
Complexity492
Isotope Atom Count6
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
TRC-D229800-10MGDehydro Nifedipine
TRC-D229800-25MGDehydro Nifedipine
TRC-D229800-5MGDehydro Nifedipine
TRC-N457002-10MGNifedipine-d6
TRC-N457002-1MGNifedipine-d6
TRC-H825220-1MGHydroxy Dehydro Nifedipine Lactone
TRC-H825220-5MGHydroxy Dehydro Nifedipine Lactone
TRC-D229557-1MG7-Dehydro Desmosterol-d6
TRC-D229557-0.25MG7-Dehydro Desmosterol-d6
TRC-D229557-5MG7-Dehydro Desmosterol-d6

Alternative Products

CatalogName
sc-211227Dehydro Nifedipine-d6
sc-211226DDehydro Nifedipine
007819-01Dehydro Nifedipine (Nifedipine EP Impurity A)
HY-W019726RDehydro Nifedipine (Standard)
MBS6120154-01Dehydro Nifedipine N-Oxide
279069-01Hydroxy dehydro nifedipine lactone
CS-O-10308Hydroxy Dehydro Nifedipine Carboxylate
HY-W019726S1-01Dehydro Nifedipine-13C, d3
271337-01Dehydro nifedipine discontinued. See 007819
CS-O-49134Dehydro tetrabenazine-d6

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