Compound C21H26ClN5O4

2-[10-(3-aminopropylimino)-6,8-dihydroxy-3-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-14-yl]ethyl-(2-hydroxyethyl)azanium chloride

CAS: 118201-50-6

Molecular Formula	`C21H26ClN5O4`
Molecular Weight	447.9 g/mol
Topological Polar Surface Area	148.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	447.16733
Heavy Atoms	31
Complexity	997.0

Chemical Identifiers

CAS Number	118201-50-6
SMILES	`C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CC[NH2+]CCO)O)O.[Cl-]`
InChIKey	`AWVHFDOHKFRHKQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H26ClN5O4 (CAS: 118201-50-6) is a chemical compound with molecular formula C21H26ClN5O4 and molecular weight 447.9 g/mol. Its IUPAC systematic name is 2-[10-(3-aminopropylimino)-6,8-dihydroxy-3-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-14-yl]ethyl-(2-hydroxyethyl)azanium chloride. Topological Polar Surface Area 148.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 447.16733 Heavy Atoms 31 Complexity 997.0 InChI Key: AWVHFDOHKFRHKQ-UHFFFAOYSA-N. SMILES: C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CC[NH2+]CCO)O)O.[Cl-].

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