halcinonide
Chemical compound
Also known as (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one · Halcinonid · Halcinonida · Halcinonide · Halcinonidum
- Formula
- C₂₄H₃₂ClFO₅
1
- C₂₄H₃₂ClFO₅
- Mass
- 454.192 Da
1
- 454.192 Da
Overview
Chemistry
All data
44 statements · 68% with external sources · numbers in brackets are citations
- Canonical SMILES
- CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
1
- CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
- Isomeric SMILES
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F
1
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F
On other databases
28 identifiers linking halcinonide across the web's reference databases
- ATC codeD07AD02
- CAS Registry Number3093-35-4
- ChEBI ID31663
- ChEMBL IDCHEMBL1200845
- ChemSpider ID391997
- DrugBank IDDB06786
- DrugCentral ID4507
- DSSTOX compound identifierDTXCID4025375
- DSSTox substance IDDTXSID6045375
- EC number221-439-6
- ECHA Substance Infocard ID100.019.490
- Freebase ID/m/0gk998
- InChIInChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
- InChIKeyMUQNGPZZQDCDFT-JNQJZLCISA-N
- KBpedia IDHalcinonide
- MedlinePlus drug identifiera682272
- MeSH descriptor IDD006206
- MeSH tree codeD04.210.500.745.745.654.570
- Microsoft Academic ID (discontinued)2780010858
- NDF-RT IDN0000145986
- NSC number758413
- Probes And Drugs IDPD012088
- PubChem CID443943
- RxNorm CUI5084
- SureChEMBL ID4335
- UMLS CUIC0018513
- UniChem compound ID459537
- UNIISI86V6QNEG