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B-estradiol 17-valerate(CAS No. 979-32-8)

B-estradiol 17-valerate C23H32O3 (cas 979-32-8) Molecular Structure

979-32-8 Structure

Identification and Related Records

【Name】
B-estradiol 17-valerate
【CAS Registry number】
979-32-8
【Synonyms】
Estradiol valerate
Oestradiol Valerate
estradiol-17-valerate
1,3,5(10)-estratriene-3,17b-diol 17-pentanote
Estradiol Valeate
【EINECS(EC#)】
213-559-2
【Molecular Formula】
C23H32O3 (Products with the same molecular formula)
【Molecular Weight】
356.5
【Inchi】
InChI=1/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
【MOL File】
979-32-8.mol

Chemical and Physical Properties

【Appearance】
Na
【Density】
1.13g/cm3
【Melting Point】
144℃
【Boiling Point】
486.2°Cat760mmHg
【Refractive Index】
1.567
【Flash Point】
191.1°C
【Computed Properties】
Molecular Weight:356.49838 [g/mol]
Molecular Formula:C23H32O3
XLogP3:6
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:9
Exact Mass:356.235145
MonoIsotopic Mass:356.235145
Topological Polar Surface Area:46.5
Heavy Atom Count:26
Formal Charge:0
Complexity:518
Isotope Atom Count:0
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:6.4
Conformer Sampling RMSD:0.8
CID Conformer Count:14

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R60;R61
【Safety Statements 】
S53;S45
【Safety】

Suspected carcinogen with carcinogenic and teratogenic data. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: T
Risk Statements: 60-61
60:? May impair fertility?
61:? May cause harm to the unborn child?
Safety Statements: 53-45
53:? Avoid exposure - obtain special instruction before use?
45:? In case of accident or if you feel unwell, seek medical advice immediately(show label where possible)?
WGK Germany: 3
RTECS: KG5793000

【Specification】

? Estradiol 17-valerate (CAS NO.979-32-8), its Synonyms are 3-Hydroxy-17beta-valeroyloxyestra-1,3,5(10)-triene ; Atladiol ; Climaval ; Cyclocur ; Deladiol ; Delahormone unimatic ; Delestrogen ; Delestrogen 4X ; Depo estro med ; Depo-Estro-Med ; Dura-estradiol ; Duratrad ; Estra-1,3,5(10)-triene-3,17-diol(17beta)-, 17-pentanoate ; Estradiol 17beta-valerate ; Estradiol Depot ; Estradiol valerate ; Postoval ; Primogyn-Depot ; Primogyna ; Progynon-depot .

Use and Manufacturing

【Usage】
Estradiol (E888000) derivative. An estrogen.

Biomedical Effects and Toxicity

【Therapeutic Uses】
Estradiol (E888000) derivative. An estrogen.

Supplier Location

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