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Captopril disulfide

Captopril disulfide structure

CAS No:
64806-05-9
Formula:
C18H28N2O6S2
Chemical Name:
Captopril disulfide
Synonyms:
L-Proline,1,1′-[dithiobis[(2S)-2-methyl-1-oxo-3,1-propanediyl]]bis-;L-Proline,1,1′-[dithiobis(2-methyl-1-oxo-3,1-propanediyl)]bis-,[S-(R*,R*)]-;1,1′-[Dithiobis[(2S)-2-methyl-1-oxo-3,1-propanediyl]]bis[L-proline];Captopril disulfide;SQ 14551;CAPTOPRDS;84389-03-7
Categories:
Analytical Chemistry > Standard

Description

White Solid

Captopril disulfide is an organic disulfide in which the disulfide bond links two units of captopril. It is a secondary metabolite of captopril. It has a role as a metabolite. It derives from a captopril.

Captopril disulfide Basic Attributes

Molecular Weight：

432.55

Exact Mass：

432.55

HScode：

2933999552

Characteristics

PSA：

165.82000

XLogP3：

1.66700

Density：

1.383g/cm3

Melting Point：

224-226 °C

Boiling Point：

714.796ºC at 760 mmHg

Flash Point：

386.095ºC

Refractive Index：

1.6

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

captopril disulfide

Captopril disulfide Use and Manufacturing

A metabolite of Captopril. A new antihypertensive agent

Computed Properties

Molecular Weight:432.6
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:432.13887896
Monoisotopic Mass:432.13887896
Topological Polar Surface Area:166
Heavy Atom Count:28
Complexity:565
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes