rebeccamycin

5,21-dichloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

CAS: 93908-02-2

Molecular Formula	`C27H21Cl2N3O7`
Molecular Weight	570.4 g/mol
LogP	2.6
Topological Polar Surface Area	146.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	569.0757
Heavy Atoms	39
Complexity	1010.0

Chemical Identifiers

CAS Number	93908-02-2
SMILES	`COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO`
InChIKey	`QEHOIJJIZXRMAN-QZQSLCQPSA-N`

📖 Product Overview

rebeccamycin (CAS: 93908-02-2) is a chemical compound with molecular formula C27H21Cl2N3O7 and molecular weight 570.4 g/mol. Its IUPAC systematic name is 5,21-dichloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione. LogP 2.6 Topological Polar Surface Area 146.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 569.0757 Heavy Atoms 39 Complexity 1010.0 InChI Key: QEHOIJJIZXRMAN-QZQSLCQPSA-N. SMILES: COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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