Amlodipine-d4

CAT: 0024-sc-481432ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-481432ASize:50 mg

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CAS Number

1185246-14-3

Chemical Information

Amlodipine-d4

CAS Number	1185246-14-3
PubChem CID	45358917
IUPAC Name	3-O-ethyl 5-O-methyl 2-[(2-amino-1,1,2,2-tetradeuterioethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C20H25ClN2O5
Molecular Weight	412.9
XLogP	3
Topological Polar Surface Area	99.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	28
Formal Charge	0
Complexity	647

SMILES

[2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OCC)N

InChI

InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/i9D2,10D2

InChIKey

HTIQEAQVCYTUBX-YQUBHJMPSA-N

Chemical Structure

2D Structure

CAS: 1185246-14-3

CID: 45358917

Formula: C20H25ClN2O5

MW: 412.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.9
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	412.1703066
Monoisotopic Mass	412.1703066
Topological Polar Surface Area	99.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	647
Isotope Atom Count	4
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