DTXSID00981168

(6S,9S,10S,12R,13S,14S,16S,17R,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,17,22,23-octol chloride

CAS: 63937-17-7

Molecular Formula	`C27H44ClNO9`
Molecular Weight	562.1 g/mol
Topological Polar Surface Area	176.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	10
Rotatable Bonds	0
Exact Mass	561.27045
Heavy Atoms	38
Complexity	1000.0

Chemical Identifiers

CAS Number	63937-17-7
SMILES	`CC1CCC2C(C3C(C[NH+]2C1)C4CC56C(C4(C(C3O)O)O)C(C(C7C5(CCC(C7(O6)O)O)C)O)O)(C)O.[Cl-]`
InChIKey	`AGPQZJCFTGPUPW-LCEYTCDISA-N`

📖 Product Overview

DTXSID00981168 (CAS: 63937-17-7) is a chemical compound with molecular formula C27H44ClNO9 and molecular weight 562.1 g/mol. Its IUPAC systematic name is (6S,9S,10S,12R,13S,14S,16S,17R,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,17,22,23-octol chloride. Topological Polar Surface Area 176.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 10 Rotatable Bonds 0 Exact Mass 561.27045 Heavy Atoms 38 Complexity 1000.0 InChI Key: AGPQZJCFTGPUPW-LCEYTCDISA-N. SMILES: CC1CCC2C(C3C(C[NH+]2C1)C4CC56C(C4(C(C3O)O)O)C(C(C7C5(CCC(C7(O6)O)O)C)O)O)(C)O.[Cl-].

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