Humantenmine

Catalog Number	ACM82354389
CAS Number	82354-38-9
Synonyms	Gelsenicine
IUPAC Name	(1R,2S,4S,7R,8S)-6-Ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
Molecular Weight	326.39
Molecular Formula	C19H22N2O3
Canonical SMILES	CCC1=NC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC
InChI	InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1
InChI Key	BIGABVPVCRHEES-NWPJSNQLSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	591
Exact Mass	326.16304257
Heavy Atom Count	24
Isomeric SMILES	CCC1=N[C@H]2C[C@@]3([C@H]4C[C@@H]1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC
Monoisotopic Mass	326.16304257
Topological Polar Surface Area	51.1Ų

Custom Q&A

What is the chemical formula of Humantenmine?

The chemical formula of Humantenmine is C19H22N2O3.

What is the molecular weight of Humantenmine?

The molecular weight of Humantenmine is 326.39 g/mol.

In which product category does Humantenmine belong?

Humantenmine belongs to the product category of Alkaloids.

What are some of the chemical properties of Humantenmine?

Some chemical properties of Humantenmine include a boiling point of 463.6±55.0 °C, a density of 1.44±0.1 g/cm3, and solubility in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, and Acetone.

What is the predicted pka value of Humantenmine?

The predicted pka value of Humantenmine is 7.17±0.20.

What is the biological activity of Humantenmine?

Humantenmine, an alkaloid isolated from Chinese nematode, has potential for pain and rheumatoid arthritis.

How does Humantenmine affect the survival rate of mice in vitro?

Humantenmine decreases the 14-day survival rate of mice to 17% after intragastric treatment, along with hepatic injury and increased ALT/AST levels.

Which enzyme mediates the metabolism and detoxification of Humantenmine?

CYP3A4/5 mediates the metabolism and detoxification of Humantenmine.

What is the target of Humantenmine in terms of enzyme interaction?

The target of Humantenmine is P450, specifically CYP17.

What is the appearance of Humantenmine in its crystalline form?

Humantenmine appears as a colorless block crystal in acetone, with a melting point of 166 ~ 168℃, and is soluble in benzene, chloroform, alcohols, and other organic solvents.

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