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Hydrocortisone-17-butyrate
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Name

Hydrocortisone-17-butyrate

 EINECS 237-093-4
CAS No. 13609-67-1 Density 1.23 g/cm3
PSA 100.90000 LogP 3.13260
Solubility N/A Melting Point 210.0 to 214.0 °C
Formula C25H36O6 Boiling Point 585.6 °C at 760 mmHg
Molecular Weight 432.557 Flash Point 194 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13609-67-1 (Hydrocortisone-17-butyrate) Hazard Symbols N/A
Synonyms

Hydrocortisone butyrate [USAN:BAN:JAN];11β,17,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate;Hydrocortisone butyrate (JP14/USP);Hydrocortisone-17alpha-butyrate;11-beta,17-alpha,21-Trihydroxy-4-pregnene-3,20-dione 17-alpha-butyrate;Bucort;Hydrocortisone 17-butyrate;Hydrocortisone butyrate;Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11-beta)-;

Article Data 8

Hydrocortisone-17-butyrate Synthetic route

49757-02-0

Hydrocortisone 17α,21-ethyl orthobutanoate

13609-67-1

hydrocortisone 17α-butyrate

Conditions
ConditionsYield
aluminium silicate In methanol; water for 1h; Heating;78%
50-23-7

HYDROCORTISONE

43083-12-1

1,1,1-trimethoxybutane

A

13609-67-1

hydrocortisone 17α-butyrate

B

6677-99-2

21-oxobutoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione

Conditions
ConditionsYield
With hydrogenchloride; toluene-4-sulfonic acid 1) acetonitrile, 13 min, 2) acetonitrile, 14 min; Yield given. Multistep reaction. Yields of byproduct given;
50-23-7

HYDROCORTISONE

13609-67-1

hydrocortisone 17α-butyrate

Conditions
ConditionsYield
In methanol; aqueous oxalic acid
13609-67-1

hydrocortisone 17α-butyrate

21-dehydrohydrocortisone-17-butyrate

Conditions
ConditionsYield
With air; copper diacetate In ethanol for 5h;100%
copper diacetate In methanol
copper diacetate In methanol
55016-23-4

propylsulfanyl-acetyl chloride

13609-67-1

hydrocortisone 17α-butyrate

121507-14-0

17α-Butanoyloxy-11β-hydroxy-21-(propylthio)acetoxy-4-pregnene-3,20-dione

Conditions
ConditionsYield
With pyridine In chloroform ice-cooling;78%
54256-37-0

2-(ethylthio)acetyl chloride

13609-67-1

hydrocortisone 17α-butyrate

121507-13-9

17α-Butanoyloxy-21-(ethylthio)acetoxy-11β-hydroxy-4-pregnene-3,20-dione

Conditions
ConditionsYield
With pyridine In chloroform ice-cooling;49%
13609-67-1

hydrocortisone 17α-butyrate

2921-14-4, 7776-18-3, 20295-82-3

(aminooxy)acetic acid hemihydrochloride

A

anti-cortisol 17-butyrate-3-(O-carboxymethyl)-oxime

B

syn-cortisol 17-butyrate-3-(O-carboxymethyl)-oxime

Conditions
ConditionsYield
With sodium acetate In 1,4-dioxane; methanol; waterA 48%
B 25%
35928-65-5

(methylthio)acetyl chloride

13609-67-1

hydrocortisone 17α-butyrate

121507-12-8

17α-Butanoyloxy-11β-hydroxy-21-(methylthio)acetoxy-4-pregnene-3,20-dione

Conditions
ConditionsYield
With pyridine In chloroform for 0.666667h;33%
13609-67-1

hydrocortisone 17α-butyrate

67-68-5

dimethyl sulfoxide

128557-21-1

17α-Butanoyloxy-11β-hydroxy-21-(methylthio)methoxy-4-pregnene-3,20-dione

Conditions
ConditionsYield
With acetic anhydride; acetic acid In acetonitrile Heating;18%
13609-67-1

hydrocortisone 17α-butyrate

6677-99-2

21-oxobutoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione

Conditions
ConditionsYield
With propylene glycol at 60℃; Rate constant;
In ethanol at 60℃; for 72h; Yield given;

Hydrocortisone-17-butyrate Specification

The Hydrocortisone-17-butyrate, with the CAS registry number 13609-67-1, is also known as Cortisol 17-butyrate. It belongs to the product category of Steroids. Its EINECS registry number is 237-093-4. This chemical's molecular formula is C25H36O6 and molecular weight is 432.54974. Its IUPAC name is called [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate. This chemical's classification codes are Dermatologic agents; Drug / Therapeutic Agent; Glucocorticoid; Hormone; Reproductive Effect.

Physical properties of Hydrocortisone-17-butyrate: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 2.81; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 79.81; (5)ACD/BCF (pH 7.4): 79.81; (6)ACD/KOC (pH 5.5): 800.03; (7)ACD/KOC (pH 7.4): 800.03; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 114.41 cm3; (13)Molar Volume: 351.5 cm3; (14)Surface Tension: 52.9 dyne/cm; (15)Density: 1.23 g/cm3; (16)Flash Point: 194 °C; (17)Enthalpy of Vaporization: 100.42 kJ/mol; (18)Boiling Point: 585.6 °C at 760 mmHg; (19)Vapour Pressure: 3.76E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](OC(=O)CCC)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)InChI: InChI=1/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
(3)InChIKey: BMCQMVFGOVHVNG-TUFAYURCBW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1550mg/kg (1550mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: HEMATURIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 991, 1974.
mouse LD50 oral > 3gm/kg (3000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 991, 1974.
mouse LD50 subcutaneous 2150mg/kg (2150mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Journal of Toxicological Sciences. Vol. 6(Suppl,
rat LD50 intraperitoneal > 3gm/kg (3000mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: HEMATURIA		 Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 991, 1974.
rat LD50 oral > 3gm/kg (3000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 991, 1974.
rat LD50 subcutaneous > 3gm/kg (3000mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: HEMATURIA		 Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 991, 1974.

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