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Hydrocortisone acetate(CAS No. 50-03-3)

Hydrocortisone acetate C23H32O6 (cas 50-03-3) Molecular Structure

50-03-3 Structure

Identification and Related Records

【Name】
Hydrocortisone acetate
【CAS Registry number】
50-03-3
【Synonyms】
cortisol acetate
hydrocortisone-21-acetate
cortisol 21-acetate
21-acetoxy-4-pregnene-11b,17a-diol-3,20-dione

11-beta,17-alpha-dihydroxy-21-acetoxypregesterone
11beta17alpha-Dihydroxy-21-acetoxypregesterone
Abbocort
Acetate-as
【EINECS(EC#)】
200-004-4
【Molecular Formula】
C23H32O6 (Products with the same molecular formula)
【Molecular Weight】
404.5
【Inchi】
InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
【InChIKey】
ALEXXDVDDISNDU-MCHRFJOXSA-N
【Canonical SMILES】
CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
【Isomers smiles】
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]
34C)O)C)O
【MOL File】
50-03-3.mol

Chemical and Physical Properties

【Appearance】
white to off-white crystalline powder
【Density】
1.26 g/cm/3
【Melting Point】
222-225℃
【Boiling Point】
576.6 oC at 760 mmHg
【Refractive Index】
1.572
【Flash Point】
196.2 oC
【Water】
Insoluble (slightly soluble in alcohol and in chloroform)
【Solubilities】
Insoluble (slightly soluble in alcohol and in chloroform)
【Stability】
Stable, but may be light or moisture sensitive. Incompatible with strong oxidizing agents.
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:404.49658 [g/mol]
Molecular Formula:C23H32O6
XLogP3:2.2
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:4
Tautomer Count:10
Exact Mass:404.219889
MonoIsotopic Mass:404.219889
Topological Polar Surface Area:101
Heavy Atom Count:29
Formal Charge:0
Complexity:786
Isotope Atom Count:0
Defined Atom Stereocenter Count:7
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 Ring Count:4
Effective Rotor Count:5.8
Conformer Sampling RMSD:0.8
CID Conformer Count:17

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R63
【Safety Statements 】
S36;S37
【Safety】

Hazard Codes:?Xn
Risk Statements: 63
R63: Possible risk of harm to the unborn child
Safety Statements: 36/37?
S36/37: Wear suitable protective clothing and gloves
WGK Germany: 3

【Transport】
OTH
【Specification】

?Hydrocortisone acetate?(CAS NO.50-03-3) can be also called as (11Beta)-21-(acetoxy)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione ; 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate ; 11-Beta,17-alpha-dihydroxy-21-acetoxypregesterone ; 11Beta17alpha-dihydroxy-21-acetoxypregesterone ; 17-Alpha-hydrocorticosterone21-acetate ; 17Alpha-hydrocorticosterone-21-acetate ; 17-Dihydroxy-20-dion(11-beta)-pregn-4-ene-21-(acetoxy)-11 ; 17-Dihydroxy-20-dion(11beta)-pregn-4-ene-21-(acetyloxy)-11 .

Use and Manufacturing

【Usage】
Glucocorticoid

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that reduce or suppress INFLAMMATION.
【Therapeutic Uses】
Glucocorticoid

Supplier Location

Top Suppliers

Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52178272
Diamond member FORT ST BIOLOGICAL TECHNOLOGY LIMITED
Country:ChinaChina
Business Type:Trading Company
Telephone:86-311-13292230735
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Shandong Taihua Biotech Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-0538-5015611
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837

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