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(4bS,5S,6aS,6bS,9aR,10bS,12S)-12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one--water (2/1)

HCID 53655
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
77326-96-6
Standard SMILES
CC1(C)O[C@@H]2CC3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CC1(C)O[C@@H]2CC3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.O
InChIKey
MIXMJCQRHVAJIO-RRPCVRMZSA-N
Molecular formula
C48H64F2O13
Average molar mass
887 g/mol
Monoisotopic mass
886.43149842

Names & identifiers

Preferred name
(4bS,5S,6aS,6bS,9aR,10bS,12S)-12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one--water (2/1)
IUPAC
bis((1S,4R,8S,9S,11S,12S,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one);hydrate
English name
FLUNISOLIDE
Molecular formula
C24H31FO6
Molecular weight
434.5

Names & synonyms

SCHEMBL22527648DTXSID30998562(4bS,5S,6aS,6bS,9aR,10bS,12S)-12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one--water (2/1)12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one--water (2/1)AeroBidSyntarisRhinalarFlunisolide (200 mg)Flunisolide (1274505)Flunisolide Solution in Acetonitrile, 100μg/mL1, 4-PREGNADIEN-6α-FLUORO-11β, 16α, 17, 21-TETROL-3, 20-DIONE ACETONIDE6-FLUORO-11,21-DIHYDROXY-16,17-(ISOPROPYLIDENEDIOXY)PREGNA-1,4-DIENE-3,20-DIONE
Show more names
6-FLUORO-11,16ALPHA,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 16,17-ACETONIDE1,4-PREGNADIEN-6-ALPHA-FLUORO-11-BETA, 16-ALPHA, 17,21-TETROL-3,20-DIONE ACETONIDE

Properties

Computed structural properties

Topological polar surface area
187 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
15
Rotatable bonds
4
Heavy atoms
63
Formal charge
0
Complexity
910

Physicochemical properties

FDA UNII
4 DYS664X · QK4DYS664X
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
332 · H332-H302-H312
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
WGK Germany
3 · 3
HS Code
2937220000 · 2937220000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3
hs_code
2937220000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H332-H302-H312
Precautionary statements
P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501

Chemistry & industry

Applications · 1 item

UsesFlunisolide (hemihydrate) (Standard) is the analytical standard of Flunisolide (hemihydrate). This product is intended for research and analytical applications. Flunisolide hemihydrate is a corticosteroid, which is an orally active glucocorticoid receptor activator with anti-inflammatory activity. Flunisolide hemihydrate can induce eosinophil apoptosis, and is used for the research of asthma or rhinitis, and inflammation.

Suppliers17 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
广州旺晟生物科技有限公司020-87317062 13048089691 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
77326-96-6
PubChem CID
53655
DTXSID
DTXSID30998562
13564774135 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]