Registration Dossier
Registration Dossier
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EC number: 201-476-4 | CAS number: 83-43-2
Reference substances
- IUPAC name:
- 11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
Inventory
- EC number:
- 201-476-4
- EC name:
- Methylprednisolone
- CAS number:
- 83-43-2
- CAS number:
- 83-43-2
Synonyms
- Names:
- Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6.alpha.,11.beta.)-
- methylprednisolone
- Identifier:
- IUPAC name
- (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- Identifier:
- IUPAC name
- 11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
- Identifier:
- IUPAC name
- 11β,17,21-trihydroxy-6α-methylpregna-1,4-diene-3,20-dione
- Identifier:
- other: SMILES notation
- CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
- Identifier:
- other: SMILES notation
- C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14
- Identifier:
- other: SMILES notation
- C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14 11β,17,21-Trihydroxy-6α-methylpregna-1,4-diene-3,20-dione
- 11β,17,21-Trihydroxy-6α-methylpregna-1,4-diene-3,20-dione
Molecular and structural information
- Molecular formula:
- C22H30O5
- Molecular weight:
- 374.5
- SMILES notation:
- [C@H]12[C@H]3[C@@]([C@](CC3)(C(=O)CO)O)(C[C@@H]([C@@H]1[C@@]1(C(=CC(=O)C=C1)[C@H](C2)C)C)O)C
- InChl:
- InChI=1/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3
- Structural formula:
Related substances
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