Moexipril Diketopiperazine

CAT: 0024-sc-484855CSize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-484855CSize:1 g

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CAS Number

103733-51-3

Chemical Information

PD-114009

CAS Number	103733-51-3
PubChem CID	71750760
IUPAC Name	ethyl (2S)-2-[(3S,11aS)-8,9-dimethoxy-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate
Molecular Formula	C27H32N2O6
Molecular Weight	480.6
XLogP	3.6
Topological Polar Surface Area	85.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	35
Formal Charge	0
Complexity	769

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)N3CC4=CC(=C(C=C4C[C@H]3C2=O)OC)OC)C

InChI

InChI=1S/C27H32N2O6/c1-5-35-27(32)21(12-11-18-9-7-6-8-10-18)29-17(2)25(30)28-16-20-15-24(34-4)23(33-3)14-19(20)13-22(28)26(29)31/h6-10,14-15,17,21-22H,5,11-13,16H2,1-4H3/t17-,21-,22-/m0/s1

InChIKey

UYPPDNXTLSUNRF-HSQYWUDLSA-N

Chemical Structure

2D Structure

CAS: 103733-51-3

CID: 71750760

Formula: C27H32N2O6

MW: 480.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	480.6
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	480.22603674
Monoisotopic Mass	480.22603674
Topological Polar Surface Area	85.4 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	769
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
DEA73351-01	Moexipril diketopiperazine
GTR19185281-01	Moexipril
B2212-50	Moexipril HCl
GEC92949-01	Moexipril-d5
255888-01	Moexipril hydrochloride
HY-B0378A-01	Moexipril (hydrochloride)
HY-117281S1	Moexipril-d3

Moexipril Diketopiperazine

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