Products Categories
| CAS No.: | 86401-95-8 |
|---|---|
| Name: | Methylprednisolone aceponate |
| Molecular Structure: | |
|
|
|
| Formula: | C27H36O7 |
| Molecular Weight: | 472.579 |
| Synonyms: | Advantan;ZK 91588;11b,17,21-Trihydroxy-6a-methylpregna-1,4-diene-3,20-dione-21-acetate-17-propionate; |
| Density: | 1.233 g/cm3 |
| Boiling Point: | 595.803 °C at 760 mmHg |
| Flash Point: | 193.08 °C |
| PSA: | 106.97000 |
| LogP: | 3.33530 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
What can I do for you?
Get Best Price
Specification
The Methylprednisolone aceponate, with the CAS registry number 86401-95-8, is also known as 11b,17,21-Trihydroxy-6a-methylpregna-1,4-diene-3,20-dione-21-acetate-17-propionate. This chemical's molecular formula is C27H36O7 and molecular weight is 472.58. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Steroids; Steroid and Hormone. What's more, its systematic name is (6α,11β)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate. Its classification codes are: (1)Anti-Inflammatory Agents; (2)Drug / Therapeutic Agent; (3)Reproductive Effect; (4)Skin / Eye Irritant. It is used as topical cortical steroids hormones.
Physical properties of Methylprednisolone aceponate are: (1)ACD/LogP: 3.294; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 187.84; (6)ACD/BCF (pH 7.4): 187.84; (7)ACD/KOC (pH 5.5): 1476.31; (8)ACD/KOC (pH 7.4): 1476.31; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 106.97 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 123.886 cm3; (15)Molar Volume: 383.192 cm3; (16)Polarizability: 49.112×10-24cm3; (17)Surface Tension: 50.659 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 193.08 °C; (20)Enthalpy of Vaporization: 101.876 kJ/mol; (21)Boiling Point: 595.803 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@@]1(OC(=O)CC)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3[C@@H](C)C4)C)C
(2)Std. InChI: InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1
(3)Std. InChIKey: DALKLAYLIPSCQL-YPYQNWSCSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 2gm/kg (2000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: INCONTINENCE | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 3015, 1991. |
| rat | LD50 | subcutaneous | > 3gm/kg (3000mg/kg) | ENDOCRINE: OTHER CHANGES | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 3015, 1991. |