Lavoltidine

CAT: 0127-BUP20551-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20551-02Size:10 mg

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

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CAS Number

94739-29-4

Synonyms

AH23844A , Loxtidine , AH234844 , AH 23844A , AH-234844

Purity

=98%

Smiles

COC(=O)C1=C(C)NC(COC(N)=O)=C(C1c1cccc(Cl)c1Cl)C(=O)OC(C)C

Chemical Information

Lemildipine

Lemildipine is a methyl ester, an isopropyl ester and a dihydropyridine.

CAS Number	94739-29-4
PubChem CID	65953
IUPAC Name	5-O-methyl 3-O-propan-2-yl 2-(carbamoyloxymethyl)-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C20H22Cl2N2O6
Molecular Weight	457.3
XLogP	3
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	764

SMILES

CC1=C(C(C(=C(N1)COC(=O)N)C(=O)OC(C)C)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H22Cl2N2O6/c1-9(2)30-19(26)16-13(8-29-20(23)27)24-10(3)14(18(25)28-4)15(16)11-6-5-7-12(21)17(11)22/h5-7,9,15,24H,8H2,1-4H3,(H2,23,27)

InChIKey

WTOVRSWDBLIFHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94739-29-4

CID: 65953

Formula: C20H22Cl2N2O6

MW: 457.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	457.3
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	456.0854918
Monoisotopic Mass	456.0854918
Topological Polar Surface Area	117 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	764
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
MBS5769277	Lavoltidine
T32608	Lavoltidine succinate