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Nimodipine EP Impurity C

CAT: 1596-AR-N01585-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01585-01Size:10 Units
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CAS Number
70172-96-2
Synonyms
Bis (2-methoxyethyl) 2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate; USP Nimodipine Related Compound B; Bis (2-methoxyethyl) 2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate; USP Nimodipine Related Compound B; Nimodipine EP Impurity C; Nimodipine USP Related Compound B; O-Desisopropyl-O-methoxyethyl Nimodipine
Molecular Formula
C21H26N2O8
Molecular Weight
434.45
API Name
Nimodipine

Chemical Information

Bis(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number70172-96-2
PubChem CID2787405
IUPAC Namebis(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC21H26N2O8
Molecular Weight434.4
XLogP2.1
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity696
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC
InChI
InChI=1S/C21H26N2O8/c1-13-17(20(24)30-10-8-28-3)19(15-6-5-7-16(12-15)23(26)27)18(14(2)22-13)21(25)31-11-9-29-4/h5-7,12,19,22H,8-11H2,1-4H3
InChIKey
DKUDHLFHAFDRKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS: 70172-96-2
CID: 2787405
Formula: C21H26N2O8
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass434.16891579
Monoisotopic Mass434.16891579
Topological Polar Surface Area129 Ų
Heavy Atom Count31
Formal Charge0
Complexity696
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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