CAS No.2152-44-5,Betamethasone 17-valerate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2152-44-5
Name:	Betamethasone 17-valerate
Article Data:	13

Formula:	C₂₇H₃₇FO₆
Molecular Weight:	476.586
Synonyms:	Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methyl-, 17-valerate (7CI,8CI);9a-Fluoro-16b-methylprednisolone 17-valerate;Beta-Val;Betamethasone valerate;Betnesol V;Betnovate;Betoid;Bextasol;Celestan V;Celestoderm;Celeston valerate;Dermovaleas;Fuciderm;Rinderon V;Tokuderm;b-Methasone 17-valerate;
EINECS:	218-439-3
Density:	1.24 g/cm³
Melting Point:	183-184oC
Boiling Point:	598.9 °C at 760 mmHg
Flash Point:	316 °C
Solubility:	9.29 mg/L at 25 °C in water
Appearance:	White powder
Hazard Symbols:	Xn
Risk Codes:	48
Safety:	22-24/25
Transport Information:	UN 2811 6.1/PG 3
PSA:	100.90000
LogP:	3.63680

Synthetic route

aqueous perchloric acid: aqueous perchloric acid

9α-fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-valerate 21-acetate: 9α-fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-valerate 21-acetate

: 2152-44-5
betamethasone-valerate

Conditions

Conditions	Yield
In methanol

: 13820-09-2
trimethyl orthovalerate

: 378-44-9
betamethasone

: 2152-44-5
betamethasone-valerate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide; benzene for 1.25h; Ambient temperature;

aqueous perchloric acid: aqueous perchloric acid

: 5919-89-1
9α-fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-valerate 21-acetate

: 2152-44-5
betamethasone-valerate

Conditions

Conditions	Yield
In methanol

: 2152-44-5
betamethasone-valerate

: 61319-45-7
N-(all-trans-Retinoyl)-imidazole

: C47H63FO7

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 4h; Heating;	83%

: 2152-44-5
betamethasone-valerate

: 85610-79-3
1-(13-cis-Retinoyl)imidazole

: C47H63FO7

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 4h; Heating;	72%

: 110-15-6
succinic acid

: 2152-44-5
betamethasone-valerate

: 1351762-42-9
C58H76F2O14

Conditions

Conditions	Yield
Stage #1: succinic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 0.5h; Inert atmosphere; Stage #2: betamethasone-valerate In dichloromethane at 20℃; Inert atmosphere;	53%

: 2152-44-5
betamethasone-valerate

: 124-63-0
methanesulfonyl chloride

: 15423-82-2
Pentanoic acid (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-methanesulfonyloxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester

Conditions

Conditions	Yield
In pyridine at 0 - 5℃; for 1.5h;

: 2152-44-5
betamethasone-valerate

: 128292-26-2
(17R)-5'-butyl-4'-ethylthio-9α-fluoro-11β-hydroxy-16β-methyl-spiro-3,3'-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine / 1.5 h / 0 - 5 °C 2: 78 percent / acetone / 7 h / Ambient temperature View Scheme

: 2152-44-5
betamethasone-valerate

: 128292-10-4
9α-fluoro-11β-hydroxy-16β-methyl-21-methylthio-17α-valeryloxy-1,4-pregnadiene-3,20-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine / 1.5 h / 0 - 5 °C 2: 91 percent / acetone / 1 h / Ambient temperature View Scheme

: 2152-44-5
betamethasone-valerate

: 128292-11-5
21-ethylthio-9α-fluoro-11β-hydroxy-16β-methyl-17α-valeryloxy-1,4-pregnadiene-3,20-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine / 1.5 h / 0 - 5 °C 2: 53 percent / NaOMe / acetone / 0.83 h / Ambient temperature View Scheme

Raw Materials

378-44-9

13820-09-2

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Chemistry

IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Molecular Weight: 476.577483 [g/mol]
Molecular Formula: C₂₇H₃₇FO₆
XLogP3: 3.6
H-Bond Donor: 2
H-Bond Acceptor: 7
EINECS: 218-439-3
storage temp.: 2-8 °C
Index of Refraction: 1.56
Molar Refractivity: 123.71 cm³
Molar Volume: 382.3 cm³
Surface Tension: 50.8 dyne/cm
Density: 1.24 g/cm³
Flash Point: 316 °C
Enthalpy of Vaporization: 102.31 kJ/mol
Boiling Point: 598.9 °C at 760 mmHg
Vapour Pressure: 7.72E-17 mmHg at 25 °C
Water Solubility: 9.29 mg/L at 25 °C
Melting Point: 183-184 °C
Classification Code of Betamethasone 17-valerate (CAS NO.2152-44-5): Adrenal Cortex Hormones; Anti-Inflammatory Agents; Drug / Therapeutic Agent; Glucocorticoid; Glucocorticoids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Reproductive Effect

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	632mg/kg (632mg/kg)		Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 29, Pg. 153, 1973.
mouse	LD50	oral	4067mg/kg (4067mg/kg)		Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 29, Pg. 153, 1973.
mouse	LD50	subcutaneous	496mg/kg (496mg/kg)		Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 29, Pg. 153, 1973.
rabbit	LD50	subcutaneous	61200ug/kg (61.2mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 687, 1984.
rat	LD50	intraperitoneal	> 4500mg/kg (4500mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 687, 1984.
rat	LD50	oral	> 3gm/kg (3000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 687, 1984.
rat	LDLo	subcutaneous	2gm/kg (2000mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 2102, 1977.

Safety Profile

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: Harmful Xn
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

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 .