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4-Hydroxy Nisoldipine-d6

CAT: 0572-TRC-H950802-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950802-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189945-12-7
Synonyms
2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic Acid 3-(2-Hydroxy-2-methylpropyl) Ester 5-Methyl Ester-d6;
Hazard Statement
Harmful if swallowed.
Smiles
[2H]C([2H])([2H])C(O)(COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C)C([2H])([2H])[2H]
Molecular Formula
C20H18D6N2O7
Molecular Weight
410.45
Shipping Conditions
Room Temperature

Chemical Information

4-Hydroxy Nisoldipine-d6
CAS Number1189945-12-7
PubChem CID57370078
IUPAC Name3-O-methyl 5-O-[3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC20H24N2O7
Molecular Weight410.4
XLogP1.9
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity748
SMILES
[2H]C([2H])([2H])C(COC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C)C)(C([2H])([2H])[2H])O
InChI
InChI=1S/C20H24N2O7/c1-11-15(18(23)28-5)17(13-8-6-7-9-14(13)22(26)27)16(12(2)21-11)19(24)29-10-20(3,4)25/h6-9,17,21,25H,10H2,1-5H3/i3D3,4D3
InChIKey
MOZPKZYMNVFLSU-LIJFRPJRSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy Nisoldipine-d6
CAS: 1189945-12-7
CID: 57370078
Formula: C20H24N2O7
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass410.19601158
Monoisotopic Mass410.19601158
Topological Polar Surface Area131 Ų
Heavy Atom Count29
Formal Charge0
Complexity748
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2168624-Hydroxy Nisoldipine-d6
FH24068-014-Hydroxy nisoldipine
AR-N08867-01Nisoldipine Impurity 4
AR-D02525-014-Hydroxy Duloxetine-d6
HY-132501S-014’-Hydroxy Toremifene-d6
MBS6115090-014'-Hydroxy Trazodone-d6
MBS6057556-014'-Hydroxy Toremifene-d6
sc-4888374′-Hydroxy trazodone-d6
sc-4912344′-Hydroxy Toremifene-d6
0145824’-Hydroxy Trazodone-d6

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