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Teludipine hydrochloride

CAT: 0926-IEA70003-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-IEA70003-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108700-03-4
Smiles
CCOC (=O) C1=C (NC (=C (C1C2=CC=CC=C2C=CC (=O) OC (C) (C) C) C (=O) OCC) CN (C) C) C.Cl
Molecular Formula
C28H39ClN2O6
Molecular Weight
535.1 g/mol
Controlled
No

Chemical Information

Teludipine Hydrochloride

See also: Teludipine (has active moiety).

CAS Number108700-03-4
PubChem CID9893335
IUPAC Namediethyl 2-[(dimethylamino)methyl]-6-methyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Molecular FormulaC28H39ClN2O6
Molecular Weight535.1
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity909
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)CN(C)C)C.Cl
InChI
InChI=1S/C28H38N2O6.ClH/c1-9-34-26(32)23-18(3)29-21(17-30(7)8)25(27(33)35-10-2)24(23)20-14-12-11-13-19(20)15-16-22(31)36-28(4,5)6;/h11-16,24,29H,9-10,17H2,1-8H3;1H/b16-15+;
InChIKey
VMZCXIGDNRMWGI-GEEYTBSJSA-N
Chemical Structure
2D Structure
2D structure of Teludipine Hydrochloride
CAS: 108700-03-4
CID: 9893335
Formula: C28H39ClN2O6
MW: 535.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass534.2496647
Monoisotopic Mass534.2496647
Topological Polar Surface Area94.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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