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Zofenopril calcium

Zofenopril calcium structure

CAS No:
81938-43-4
Formula:
C22H23NO4S2.¹/2Ca
Chemical Name:
Zofenopril calcium
Synonyms:
L-Proline,1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-,calcium salt (2:1),(4S)-;L-Proline,1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-,calcium salt,[1(R*),2α,4α]-;Zofenopril calcium;SQ 26991;Zoprace;Zofenil
Categories:
Active Pharmaceutical Ingredients > Circulatory System Drugs

Description

Zofenopril Calcium(SQ26991) is an antioxidant that acts as an angiotensin-converting enzyme inhibitor.Target: ACEZofenopril is a pro-drug designed to undergo metabolic hydrolysis yielding the active free sulfhydryl compound zofenoprilat, which is an angiotensin converting enzyme (ACE) inhibitor [1]. Zofenopril promotes the regeneration of peripheral nerve injuries in rat models [2]. Zofenopril increases SR calcium cycling and stimulates active calcium uptake into the SR [3].

Zofenopril(1-) is a monocarboxylic acid anion that is the conjugate base of zofenopril, obtained by deprotonation of the carboxy group. It is a conjugate base of a zofenopril.

Zofenopril calcium Basic Attributes

Molecular Weight：

897.16676

Exact Mass：

428.099026

DSSTox ID：

DTXSID1048625

Characteristics

PSA：

128

XLogP3：

7.80660

Appearance：

white to off-white

Density：

1.34 g/cm3

Melting Point：

>250°C

Boiling Point：

646.3°C at 760 mmHg

Flash Point：

344.7ºC

Water Solubility：

DMSO: >5mg/mL

Storage Conditions：

Refrigerator

Specific rotation：

D23 -67.6° (c = 1 in methanol/HCl)

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400 (97.56%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Zofenopril calcium Use and Manufacturing

adenosine A2a receptor agonist

Computed Properties

Molecular Weight:428.5
XLogP3:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:428.09902553
Monoisotopic Mass:428.09902553
Topological Polar Surface Area:128
Heavy Atom Count:29
Formal Charge:-1
Complexity:582
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Zofenopril calcium

CAS No.: 81938-43-4

Content: 99.00%

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