CAS 3800-86-0 Deltasol (HCID 235849)

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Basic information

CAS: 3800-86-0
Standard SMILES: 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)COC(=O)CCC(=O)O
InChIKey: IEKLVCVEJCEIJD-LYRWTKHRSA-N
Molecular formula: C26H33FO8
Average molar mass: 492.5 g/mol
Monoisotopic mass: 492.21594624

Names & identifiers

Preferred name: Deltasol
IUPAC: 4-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
English name: DEXAMETHASONE HEMISUCCINATE
Molecular formula: C26H33FO8
Molecular weight: 492.53

Names & synonyms

Deltasol3800-86-0Dexamethasone hemisuccinatedexamethasone succinateDexamethasone 21-hemisuccinate9UY5TBO1214-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acidNSC-37630(11beta,16alpha)-21-(3-Carboxy-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dioneUNII-9UY5TBO121(11ss,16a)-21-(3-Carboxy-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-pregna-1,4-diene-3,20-dioneNSC37630

Show more names

DEXAMETHASONE HEMISUCCINATE : BSA1, 4-PREGNADIEN-9α-FLUORO-16α-METHYL-11β, 17, 21-TRIOL-3, 20-DIONE 21-HEMISUCCINATE1,4-PREGNADIEN-9-ALPHA-FLUORO-16-ALPHA-METHYL-11-BETA, 17,21-TRIOL-3,20-DIONE 21-HEMISUCCINATE1,4-PREGNADIEN-9ALPHA-FLUORO-16ALPHA-METHYL-11BETA, 17ALPHA, 21-TRIOL 3,20-DIONE 21-HEMISUCCINATE1,4-PREGNADIEN-9-ALPHA-FLUORO-16-ALPHA-METHYL-11-BETA, 17,21-TRIOL-3,20-DIONE 21-HEMISUCCINATE : BSA

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 138 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 1,030

Physicochemical properties

Melting point: 170 °C · >170°C (subl.)
Boiling point: 686 · 686.0±55.0 °C(Predicted)
Density: 1.36 · 1.36±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
form: Solid
pka: 4.29 · 4.29±0.17(Predicted)
color: White to Off-White
FDA UNII: 9 UY5TBO121 · 9UY5TBO121
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesDexamethasone Hemisuccinate is a derivative of Dexamethasone (D298800); a glucocorticoid used as an anti-inflammatory agent. It regulates T cell survival, growth, and differentiation. Dexamethasone also inhibits the induction of nitric oxide synthase.

Suppliers10 total

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海维亦特生物科技有限公司15317051735 · [email protected]

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

杭州宇昊化工科技有限公司0571-82693216 · [email protected]

Related reactions

1 records

New reaction record

HRID 926810As productuspto-grants-2016_03

Compound notes

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