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Sulprostone

Sulprostone structure

CAS No:
60325-46-4
Formula:
C23H31NO7S
Chemical Name:
Sulprostone
Synonyms:
5-Heptenamide,7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl]-N-(methylsulfonyl)-,(5Z)-;5-Heptenamide,7-[3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl]-N-(methylsulfonyl)-,[1R-[1α(Z),2β(1E,3R*),3α]]-;5-Heptenamide,7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-butenyl]-5-oxocyclopentyl]-N-(methylsulfonyl)-,(5Z)-;(5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl]-N-(methylsulfonyl)-5-heptenamide;Sulprostone;CP 34089;ZK 57671;SHB 286;Nalador;96420-78-9
Categories:
Active Pharmaceutical Ingredients > Hormones and the Endocrine System

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Sulprostone Basic Attributes

Molecular Weight：

465.56

Exact Mass：

465.56

EC Number：

262-173-0

Characteristics

PSA：

138

XLogP3：

0.26

Appearance：

white to off-white solid

Density：

1.3±0.1 g/cm3

Melting Point：

78.5-80ºC

Refractive Index：

1.589

Water Solubility：

DMSO: >5 mg/mL

Storage Conditions：

−20°C

Toxicity：

LD50 intraperitoneal in mouse: 18mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

60-36/37/38

safety instructions：

53-22-36/37-45

RTECS Number：

MJ8810000

Marks：

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P201-P261-P305 + P351 + P338-P308 + P313

Hazard Statements：

H315-H319-H335-H360

Sulprostone Use and Manufacturing

antimalarial activity

Computed Properties

Molecular Weight:465.6
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:465.18212350
Monoisotopic Mass:465.18212350
Topological Polar Surface Area:138
Heavy Atom Count:32
Complexity:766
Defined Atom Stereocenter Count:4
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes