O-Benzyldauricine

Catalog Number	ACM2748994
CAS Number	2748-99-4
Structure
Molecular Weight	714.9
InChI	InChI=1S/C45H50N2O6/c1-46-20-18-33-25-41(48-3)43(50-5)27-36(33)38(46)22-30-12-15-35(16-13-30)53-45-24-32(14-17-40(45)52-29-31-10-8-7-9-11-31)23-39-37-28-44(51-6)42(49-4)26-34(37)19-21-47(39)2/h7-17,24-28,38-39H,18-23,29H2,1-6H3/t38-,39-/m1/s1
InChI Key	ZYMOBLBBSPPQBC-LJEWAXOPSA-N
Purity	95%+
Complexity	1080
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	714.36688732
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OCC7=CC=CC=C7)OC)OC
Monoisotopic Mass	714.36688732
PhysicalState	Powder
Rotatable Bond Count	13
Topological Polar Surface Area	61.9 Ų

Custom Q&A

What is the chemical formula of O-BENZYLDAURICINE?

The chemical formula of O-BENZYLDAURICINE is C45H50N2O6.

What is the molecular weight of O-BENZYLDAURICINE?

The molecular weight of O-BENZYLDAURICINE is 714.9.

What is the boiling point of O-BENZYLDAURICINE?

The boiling point of O-BENZYLDAURICINE is predicted to be 784.0±60.0 °C.

What is the density of O-BENZYLDAURICINE?

The density of O-BENZYLDAURICINE is 1.166.

What is the pKa value of O-BENZYLDAURICINE?

The pKa value of O-BENZYLDAURICINE is predicted to be 7.88±0.40.

What is the primary usage of O-BENZYLDAURICINE?

O-BENZYLDAURICINE is an isoquinoline alkaloid known for its pharmaceutical properties, but it also induces severe lung toxicity in animals.

What is the chemical structure of O-BENZYLDAURICINE similar to?

O-BENZYLDAURICINE is a derivative of Dauricine, a bisbenzylisoquinoline alkaloid derivative.

Is O-BENZYLDAURICINE a naturally occurring compound?

O-BENZYLDAURICINE is a derivative of a naturally occurring compound called Dauricine.

What are some of the pharmaceutical properties associated with O-BENZYLDAURICINE?

O-BENZYLDAURICINE has been noted to have various pharmaceutical properties, although it is also known to cause severe lung toxicity.

How is the molecular structure of O-BENZYLDAURICINE different from its parent compound, Dauricine?

O-BENZYLDAURICINE is a derivative of Dauricine, with a benzyl group attached to the molecule, which may affect its chemical properties and biological activity.

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