DIGOXIGENIN

Description

DIGOXIGENIN · CAS 1672-46-4 · C23H34O5. UNII NQ1SX9LNAU. Melting Point: 222 °C; LogP: log Kow = 1.10; LogP: 1.58.

Identification

CAS Registry Number	1672-46-4
PubChem CID	15478
Molecular formula	C23H34O5
IUPAC name	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
UNII (FDA)	NQ1SX9LNAU

Computed Descriptors

Molecular Weight	390.5
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	390.24062418
Monoisotopic Mass	390.24062418
Topological Polar Surface Area	87
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Melting Point	222 °C
LogP	log Kow = 1.10
LogP	1.58

Physical description & handling notes

• Prisms from ethyl acetate
• Very soluble in ethanol and methanol; slightly soluble in chloroform
• Stable under recommended storage conditions.
• When heated to decomposition it emits acrid smoke and fumes.
• 220.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6051778]
• 195.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H300 (100%), H310 (100%), H330 (100%)

Documented Uses

• Laboratory chemicals, manufacture of substances.
• Digoxigenin (I) biotransformation was investigated in 2 healthy men following ingestion of labeled (7.5 ug) and unlabeled (3 mg) I. Of the radioactivity in serum at 30 min, <26% chromatographed with I; the rest chromatographed as metabolites, most of which were polar. The main polar metabolites identified were glucuronides of 3-epidigoxigenin. There was extensive cross reactivity between metabolites and antisera to digoxin.

Synonyms

Digoxigenin; 1672-46-4; Lanadigenin; Digoxigenine; DTXSID6051778; NQ1SX9LNAU; CHEBI:42098; Card-20(22)-enolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-; 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide; DTXCID9030333; delta-sup(20:22)-3-beta,12-beta,14,21-Tetrahydroxynorcholenic acid lactone; RefChem:388931; 216-806-2; Lanadigigenin; 3beta,12beta,14-Trihydroxy-5beta,20(22)-cardenolide; Card-20(22)-enolide, 3,12,14-trihydroxy-, (3ss,5ss,12ss)-

Frequently Asked Questions

What are the CAS number and molecular formula of DIGOXIGENIN?

CAS 1672-46-4; molecular formula C23H34O5; molecular weight — g/mol.

What other names is DIGOXIGENIN known by?

Digoxigenin, 1672-46-4, Lanadigenin, Digoxigenine, DTXSID6051778, NQ1SX9LNAU.

Is DIGOXIGENIN classified as hazardous?

Hazard statements reported: H300, H310, H330.

What are the key physical properties of DIGOXIGENIN?

Melting Point: 222 °C; LogP: log Kow = 1.10; LogP: 1.58.

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.