Completing data — usually done within a minute
Basic information
- CAS
127-31-1- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F- InChIKey
AAXVEMMRQDVLJB-BULBTXNYSA-N- Molecular formula
- C21H29FO5
- Average molar mass
- 380.456 g/mol
- Monoisotopic mass
- 380.19990225
Names & identifiers
- Preferred name
- Fludrocortisone
- IUPAC
- 9-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione
- English name
- Fludrocortisone
- Molecular formula
- C21H29FO5
- Molecular weight
- 380.45
Names & synonyms
florinefFLUOROCORTISONEf-colu5963f-corteffludronealfloroneastonin-hfludronefNSC 11318
Database identifiers
- CAS
127-31-1- PubChem CID
- 31378
- DTXSID
DTXSID7023061- ChEMBL
CHEMBL1201388- ChEBI
CHEBI:50885- UNII
- U0476M545B
- EC Number
- 204-833-2
- Nikkaji
- J10.052H
Properties
Physicochemical properties
- Melting point
- 208 · 208-212°C
- alpha
- 23 · D23 +139° (c = 0.55 in 95% ethanol)
- Boiling point
- 564.7 · 564.7±50.0 °C(Predicted)
- Density
- 1.1176 · 1.1176 (estimate)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 12.11 · 12.11±0.70(Predicted)
- color
- White to Off-White
- Water Solubility
- 111 mg/L · 111mg/L(25 ºC)
- InChIKey
- AAXVEMMRQDVLJB-MPVZUUJONA-N
- SMILES
- [C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1(F)[C@@H](O)C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)CO |&1:0,10,12,14,17,19,22,r|
- CAS DataBase Reference
- 127 · 127-31-1(CAS DataBase Reference)
- NCI Dictionary of Cancer Terms
- fludrocortisone
- FDA UNII
- 476 M545B · U0476M545B
- NCI Drug Dictionary
- Florinef
- ATC code
- 2 AA02 · H02AA02
- EPA Substance Registry System
- -9 · Hydrocortisone-9.alpha.-fluoro (127-31-1)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H361-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 170mg/kg
- risk_code
- 63
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-26-36
- Hazard statements
- H302-H312-H361-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
- Hazardous Substances Data
- 127-31-1(Hazardous Substances Data)
Chemistry & industry
Applications
UsesA mineralocorticoid.
Upstream & downstream products
Upstream raw materials
Suppliers74 total
北京华美互利生物化工010-56205725 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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