Identidade

12-Ethyl-9-hydroxycamptothecin

Não indicado · C22H20N2O5

01Identidade

Lazychem ID	LC-34916
CAS RN	Não indicado
PubChem CID	135423054
Molecular formula	C22H20N2O5
Molecular weight	392.4 g/mol
IUPAC name	(19S)-5,19-diethyl-8,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
InChIKey	KWUQFLSWWSXTSZ-QFIPXVFZSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of 12-Ethyl-9-hydroxycamptothecin — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CCC1=C2C(=C(C=C1)O)C=C3CN4C(=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)C3=N2
InChI	Não indicado

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.