Registration Dossier
Registration Dossier
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EC number: 206-825-4 | CAS number: 378-44-9
Reference substances
- IUPAC name:
- 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
Inventory
- EC number:
- 206-825-4
- EC name:
- Betamethasone
- CAS number:
- 378-44-9
- CAS number:
- 378-44-9
Synonyms
- Names:
- 16β-methyl-9α-fluoro-Δ1-hydrocortisone; 9α-fluoro-16β-methylprednisolone
- NSC-39470
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11ß,16ß)-
- Sch 4831
- Identifier:
- IUPAC name
- 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- Identifier:
- IUPAC name
- Betamethasone
- Identifier:
- other: SMILES notation
- C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
- 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 9α-fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
Molecular and structural information
- Molecular formula:
- C22H29FO5
- Molecular weight:
- 392.461
- SMILES notation:
- C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)
C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)CO)C(C)C4 - InChl:
- InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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