21-新戊酸替索皮质醇

Description

Tixocortol-21-pivalate · CAS 55560-96-8 · C26H38O5S. UNII 6K28E35M3B.

Identification

CAS Registry Number	55560-96-8
PubChem CID	15052414
Molecular formula	C26H38O5S
IUPAC name	S-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanethioate
UNII (FDA)	6K28E35M3B

Computed Descriptors

Molecular Weight	462.6
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	462.24399548
Monoisotopic Mass	462.24399548
Topological Polar Surface Area	117
Heavy Atom Count	32
Formal Charge	0

GHS Hazard Classification

Reported hazard statements	H317 (100%), H413 (50%)

Documented Uses

• Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
• Established Pharmacologic Class [EPC] - Standardized Chemical Allergen
• Physiologic Effects [PE] - Increased Histamine Release
• Physiologic Effects [PE] - Cell-mediated Immunity
• Chemical Structure [CS] - Allergens
• Tixocortol pivalate is a Standardized Chemical Allergen. The physiologic effect of tixocortol pivalate is by means of Increased Histamine Release and Cell-mediated Immunity.

Synonyms

TIXOCORTOL PIVALATE; 55560-96-8; Pivalone; Tixocortol 21-pivalate; Tixocortol-21-pivalate; JO-1016; CHEBI:63564; 11beta,17-Dihydroxy-21-mercaptopregn-4-ene-3,20-dione 21-pivalate; 6K28E35M3B; S-(11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl) 2,2-dimethylpropanethioate; Pregn-4-ene-3,20-dione, 21-((2,2-dimethyl-1-oxopropyl)thio)-11,17-dihydroxy-, (11beta)-; RefChem:190185; 11 beta,17-dihydroxy-21-mercaptopregn-4-ene-3,20-dione pivalate; 259-706-4; Cortisol 21-thiol; Tixocortol pivalate [USAN]

Frequently Asked Questions

What are the CAS number and molecular formula of Tixocortol-21-pivalate?

CAS 55560-96-8; molecular formula C26H38O5S; molecular weight — g/mol.

What other names is Tixocortol-21-pivalate known by?

TIXOCORTOL PIVALATE, 55560-96-8, Pivalone, Tixocortol 21-pivalate, Tixocortol-21-pivalate, JO-1016.

Is Tixocortol-21-pivalate classified as hazardous?

Hazard statements reported: H317, H413.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.