Dihydrosanguinarine

Catalog Number	ACM3606459
CAS Number	3606-45-9
Structure
Description	Dihydrosanguinarine is a natural compound isolated from the leaves of Macleaya microcarpa; has antifungal and anticancer activity.IC50 value:Target:in vitro: Dihydrosanguinarine showed much less cytotoxicity than sanguinarine: at the highest concentration tested (20 microM) and 24h exposure, dihydrosanguinarine decreased viability only to 52% . Dihydrosanguinarine showed the highest antifungal activity against B. cinerea Pers, with 95.16% mycelial growth inhibition at 50 μg/ml . dihydrosanguinarine showed the most potent leishmanicidal activities (IC(50) value: 0.014 microg/ml, respectively) .in vivo: Repeated dosing of DHSG for 90 days at up to 500 ppm in the diet (i.e. approximately 58 mg/kg/day) showed no evidence of toxicity in contrast to results published in the literature .
Synonyms	13,14-Dihydrosanguinarine
Molecular Weight	333.3
Molecular Formula	C20H15NO4
Canonical SMILES	CN1C2=C(C=C(OCO3)C3=C4)C4=CC=C2C5=CC=C6C(OCO6)=C5C1
InChI	InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
InChI Key	CIUHLXZTZWTVFL-UHFFFAOYSA-N
Melting Point	190-191 °C
Purity	95%+
Appearance	Solid
Storage	Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Complexity	530
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	333.10010796
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	333.10010796
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	40.2 Ų

Custom Q&A

What is the molecular formula of dihydrosanguinarine?

The molecular formula of dihydrosanguinarine is C20H15NO4.

What is the molecular weight of dihydrosanguinarine?

The molecular weight of dihydrosanguinarine is 333.3 g/mol.

What is the IUPAC name of dihydrosanguinarine?

The IUPAC name of dihydrosanguinarine is 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0 2,10 .0 4,8 .0 14,22 .0 17,21 ]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene.

What is the InChIKey of dihydrosanguinarine?

The InChIKey of dihydrosanguinarine is CIUHLXZTZWTVFL-UHFFFAOYSA-N.

What is the canonical SMILES of dihydrosanguinarine?

The canonical SMILES of dihydrosanguinarine is CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6.

What is the CAS number of dihydrosanguinarine?

The CAS number of dihydrosanguinarine is 3606-45-9.

How many hydrogen bond donor counts does dihydrosanguinarine have?

Dihydrosanguinarine has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does dihydrosanguinarine have?

Dihydrosanguinarine has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of dihydrosanguinarine?

The topological polar surface area of dihydrosanguinarine is 40.2 Ų.

What is the formal charge of dihydrosanguinarine?

The formal charge of dihydrosanguinarine is 0.

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