Xanthevodine

HCID 68064

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 477-78-1
Standard SMILES: COc1c2c(c(OC)c3c(=O)c4ccccc4[nH]c13)OCO2
InChIKey: XKWQECWFQVTROA-UHFFFAOYSA-N
Molecular formula: C16H13NO5
Average molar mass: 299.28 g/mol
Monoisotopic mass: 299.07937252

Names & identifiers

Preferred name: Xanthevodine
IUPAC: 4,11-dimethoxy-5H-[1,3]dioxolo[4,5-b]acridin-10-one
English name: 4,11-Dimethoxy-1,3-dioxolo[4,5-b]acridin-10(5H)-one
Molecular formula: C16H13NO5
Molecular weight: 299.28

Names & synonyms

XANTHEVODINE477-78-1OO4OI3P3HY4,11-dimethoxy-5H-[1,3]dioxolo[4,5-b]acridin-10-oneUNII-OO4OI3P3HY1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-NSC 94652NSC-94652DTXSID901972511,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-1,3-DIOXOLO(4,5-B)ACRIDAN-10-ONE, 4,11-DIMETHOXY-4,11-DIMETHOXY-1,3-DIOXOLO(4,5-B)ACRIDIN-10(5H)-ONE

Show more names

4,11-Dimethoxy-1,3-dioxolo[4,5-b]acridin-10(5H)-one

4,11-dimethoxy-5H-(1,3)dioxolo(4,5-b)acridin-10-oneRefChem:195110DTXCID001197421,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-(8CI)1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-(8CI)(9CI)XKWQECWFQVTROA-UHFFFAOYSA-NNSC94652orb3141967

Database identifiers

CAS: 477-78-1
PubChem CID: 68064
DTXSID: DTXSID90197251
UNII: OO4OI3P3HY
Nikkaji: J12.534B

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 444

Physicochemical properties

FDA UNII: 4 OI3P3HY · OO4OI3P3HY

Chemistry & industry

Suppliers1 total

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…