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1852-44-4

1852-44-4 structural image
Product Name: 1,3,5[10]-ESTRATRIENE-3,16ALPHA,17BETA-TRIOL 16-GLUCURONIDE SODIUM SALT
Formula: C24H31NaO9
Synonyms: 1,3,5(10)-Estratriene-3,16α,17β-triol 16-glucuronide;3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 16-glucuronide
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H332:Acute toxicity,inhalation
H351:Carcinogenicity
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 487.5 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 487.19440188 g/mol
Monoisotopic Mass 487.19440188 g/mol
Topological Polar Surface Area 157 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 747
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 11
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes