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betamethasone 17-valerate(CAS No. 2152-44-5)

betamethasone 17-valerate C27H37FO6 (cas 2152-44-5) Molecular Structure

2152-44-5 Structure

Identification and Related Records

【Name】
betamethasone 17-valerate
【CAS Registry number】
2152-44-5
【Synonyms】
betamethasone pentanoate
Betamethasone Valerate
1,4-Pregnadiene-11b,17a,21-triol-9a-fluoro-16b-methyl-3,20-dione 17-valerate
9-Fluoro-11beta,17,21-trihydroxy-16bet
methylpregna-1,4-diene-3,20-dione 17-valerate
VALISONE (11-beta,16-beta)-l)oxy)
17,21-trihydroxy-16-beta-methylpregna-1,4-diene-3,20-dione-9-fluoro-11-bet
17-valerate
Betamethasonevalerateester
betnovateat
celestoderm
【EINECS(EC#)】
218-439-3
【Molecular Formula】
C27H37FO6 (Products with the same molecular formula)
【Molecular Weight】
476.577483
【Inchi】
InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
【InChIKey】
SNHRLVCMMWUAJD-SUYDQAKGSA-N
【Canonical SMILES】
CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
【Isomers smiles】
CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C
[C@@]43C)F)O)C)C)C(=O)CO
【MOL File】
2152-44-5.mol

Chemical and Physical Properties

【Appearance】
Mixed with a solvent.
【Density】
1.24g/cm3
【Melting Point】
183-184 °C
【Boiling Point】
598.9 oC at 760 mmHg
【Vapour】
7.72E-17mmHg at 25°C
【Refractive Index】
1.56
【Flash Point】
316 oC
【Water】
9.29 mg/L at 25 °C in water
【Solubilities】
9.29 mg/L at 25 °C in water
【Stability】
Material will release phosphine gas when wet or in contact with acids and this gas is moderately explosive when exposed to flame.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:476.577483 [g/mol]
Molecular Formula:C27H37FO6
XLogP3:3.6
H-Bond Donor:2
H-Bond Acceptor:7
Rotatable Bond Count:7
Tautomer Count:9
Exact Mass:476.257417
MonoIsotopic Mass:476.257417
Topological Polar Surface Area:101
Heavy Atom Count:34
Formal Charge:0
Complexity:957
Isotope Atom Count:0
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:8.4
Conformer Sampling RMSD:1
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R48
【Safety Statements 】
S22;S24/25
【HazardClass】
4.3
【Safety】

Poison by subcutaneous route. Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F?.
Hazard Codes:?HarmfulXn
Risk Statements: 48?
R48:Danger of serious damage to health by prolonged exposure.
Safety Statements: 22-24/25?
S24/25:Avoid contact with skin and eyes.?
S22:Do not breathe dust.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 2
RTECS: TU3835000

【PackingGroup 】
I
【Transport】
UN 2811 6.1/PG 3
【Specification】

? Betamethasone 17-valerate (CAS NO.2152-44-5), its Synonyms are Betamethasone valerate ; 9-Fluoro-11-beta,17,21-trihydroxy-16-beta-methylpregna-1,4-diene-3,20-dione-17-valerate ; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate ; Betaderm ; Betamethason-17-valerate ; Betatrex ; Betnovate ; Betnovateat ; Celestoderm ; Dermabet ; Luxiq ; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopentyl)oxy)-, (11beta,16beta)- ; Valisone ; Valnac ; beta-Methasone 17-valerate ; beta-Val .

Use and Manufacturing

【Usage】

In rat & field mice poison preparations.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that reduce or suppress INFLAMMATION.
- A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.

Supplier Location

Top Suppliers

Diamond member Shandong Taihua Biotech Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-0538-5015611
Diamond member Yichang yongnuopharm co.,ltd
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Telephone:86-717-4128488
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
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Telephone:86-25-52113793
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Hangzhou J&H Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-571-87396430
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Finetech Industry limited.
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Business Type:Manufacturer
Telephone:86-27-87465837
Hubei Yuancheng Saichuang Technology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-50755982

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