9-Chloro-10,11-methylene-dioxycamptothecin

HCID 468671
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Basic information

Standard SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)c4c(cc3nc2-1)OCO4
InChIKey
AQSRKNJFNKOMDG-NRFANRHFSA-N
Molecular formula
C21H15ClN2O6
Average molar mass
426.8 g/mol

Names & identifiers

Preferred name
9-Chloro-10,11-methylene-dioxycamptothecin
IUPAC
(5S)-16-chloro-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione

Names & synonyms

NSC673591SCHEMBL18296780AQSRKNJFNKOMDG-NRFANRHFSA-NNSC-6735919-chloro-10,11-methylene-dioxycamptothecin9-Chloro-10,11-methylenedioxy-20(S)-CPT9-Chloro-10,11-methylenedioxy-20(S)-camptothecin10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 15-chloro-7-ethyl-7-hydroxy-, (7S)-

Database identifiers

PubChem CID
468671
Nikkaji
J572.214D

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
98.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
30

Related reactions

1 records
New reaction record

Compound notes

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