Cholesteryl hemisuccinate

• CAS: 1510-21-0
• Catalog Number: ACM1510210
• Category: Inhibitors
• Molecular Weight: 486.7
• Molecular Formula: C31H50O4
• Description: Cholesteryl hemisuccinate is a with hepatoprotective an anticancer activity. Cholesteryl hemisuccinate inhibits Acetaminophen (AAP, HY-66005) hepatotoxicity, and prevents AAP-induced hepatic apoptosis and necrosis. Cholesteryl hemisuccinate inhibits DNA polymerase and DNA topoisomerase to inhibit DNA replication and repair and cell division. Thus, Cholesteryl hemisuccinate inhibits tumor growth.
• Synonyms: Cholesteryl hydrogen succinate
• IUPAC Name: 4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
• InChI: InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
• InChI Key: WLNARFZDISHUGS-MIXBDBMTSA-N
• Boiling Point: 586.0±43.0 °C (Predicted)
• Melting Point: 178 °C
• Flash Point: 179.6°C
• Density: 1.06±0.1 g/cm³ (Predicted)
• Solubility: Chloroform: 10 mg/mL
• Appearance: A crystalline solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Assay: 0.99
• Complexity: 815
• EC Number: 216-148-6
• Exact Mass: 486.37091007
• Formal Charge: 0
• Heavy Atom Count: 35
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
• Monoisotopic Mass: 486.37091007
• Packaging: 10 g
• pKa: 4.40±0.17 (Predicted)
• Rotatable Bond Count: 10
• Shipping: Room temperature
• Stability: ≥2 years
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 63.6 Ų
• WGK Germany: 3
• XLogP3-AA: 8.5

Custom Q&A

What is the PubChem CID for cholesteryl hemisuccinate?

PubChem CID: 65082

What is the molecular formula of cholesteryl hemisuccinate?

Molecular Formula: C31H50O4

What is the molecular weight of cholesteryl hemisuccinate?

Molecular Weight: 486.7 g/mol

When was cholesteryl hemisuccinate created in PubChem?

Created: 2005-08-08

When was cholesteryl hemisuccinate last modified in PubChem?

Modified: 2023-12-02

What is the IUPAC Name of cholesteryl hemisuccinate?

IUPAC Name: 4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

What is the InChI of cholesteryl hemisuccinate?

InChI: InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1

What is the InChIKey of cholesteryl hemisuccinate?

InChIKey: WLNARFZDISHUGS-MIXBDBMTSA-N

What is the canonical SMILES of cholesteryl hemisuccinate?

Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C

What is the CAS number of cholesteryl hemisuccinate?

CAS Number: 1510-21-0