Nisoldipine Impurity D

CAT: 1299-RM-N190404-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N190404-01Size:10 mg

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CAS Number

87375-91-5

Synonyms

3-isobutyl 5-methyl 2,6-dimethyl-4- (2-nitrosophenyl) pyridine-3,5-dicarboxylate

Molecular Formula

C20H22N2O5

Molecular Weight

370.4

Target Alternative Name

Nisoldipine

Product Name Synonym

3-isobutyl 5-methyl 2,6-dimethyl-4- (2-nitrosophenyl) pyridine-3,5-dicarboxylate

Chemical Information

Dehydronitrosonisoldipine

CAS Number	87375-91-5
PubChem CID	14823523
IUPAC Name	5-O-methyl 3-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
Molecular Formula	C20H22N2O5
Molecular Weight	370.4
XLogP	3.7
Topological Polar Surface Area	94.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	538

SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OCC(C)C)C2=CC=CC=C2N=O)C(=O)OC

InChI

InChI=1S/C20H22N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11H,10H2,1-5H3

InChIKey

UNMSLPIJQICBKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87375-91-5

CID: 14823523

Formula: C20H22N2O5

MW: 370.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.4
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	370.15287181
Monoisotopic Mass	370.15287181
Topological Polar Surface Area	94.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	538
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-N190405-01	Nisoldipine Impurity E
RM-N190402-01	Nisoldipine Impurity B
RM-N190403-01	Nisoldipine Impurity C
RM-N190406-01	Nisoldipine Impurity F
RM-N060400-01	Nifedipine; Benidipine Impurity G; Nisoldipine Impurity A
RM-N190400-01	Nisoldipine
RM-N190407-01	Nisoldipine-D6
RM-N190408-01	N-Nitroso-Nisoldipine discontinued
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