Basic information
- Name:
Hydrocortisone-17-butyrate
- CAS No.:
13609-67-1
- Molecular Structure:
- Formula:
- C25H36O6
- Molecular Weight:
- 432.61
- 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)-;
- EINECS:
- 237-093-4
- Density:
- 1.23 g/cm3
- Boiling Point:
- 585.6 °C at 760 mmHg
- Flash Point:
- 194 °C
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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. |