Nimodipine 500mg

CAT: 0628-A10645-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A10645-500Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

66085-59-4

Chemical Information

Nimodipine

Nimodipine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	66085-59-4
PubChem CID	4497
IUPAC Name	3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C21H26N2O7
Molecular Weight	418.4
XLogP	3.1
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	736

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3

InChIKey

UIAGMCDKSXEBJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66085-59-4

CID: 4497

Formula: C21H26N2O7

MW: 418.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	418.17400117
Monoisotopic Mass	418.17400117
Topological Polar Surface Area	120 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	736
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A8484-5.1	Nimodipine