Идентичност

2-Hydroxy Irinotecan

Не е посочено · C33H38N4O7

01Идентичност

Lazychem ID	LC-39641
CAS RN	Не е посочено
PubChem CID	58730923
Molecular formula	C33H38N4O7
Molecular weight	602.7 g/mol
IUPAC name	[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 2-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate
InChIKey	DDBHYRUFETXXKP-JSLFILEWSA-N

02Структура и стереохимия

Two-dimensional chemical structure of 2-Hydroxy Irinotecan — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 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	7
Secondary amines	0
Tertiary amines	1

SMILES	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6O)N7CCCCC7
InChI	Не е посочено

03Stereochemistry

The published structure contains 1 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.