 Home > Encyclopedia > 2-[5-chloro-10-(hydroxymethyl)-15-oxido-8-thia-14-aza-15-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate

2-[5-chloro-10-(hydroxymethyl)-15-oxido-8-thia-14-aza-15-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate

2-[5-chloro-10-(hydroxymethyl)-15-oxido-8-thia-14-aza-15-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate structure

CAS No:
60666-36-6
Formula:
C21H26ClN3O5S2
Chemical Name:
2-[5-chloro-10-(hydroxymethyl)-15-oxido-8-thia-14-aza-15-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate
Synonyms:
IA-4 N-Oxide methanesulfonate;2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, N-oxide, monomethanesulfonate (salt);60666-36-6;DTXSID60209476

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2-[5-chloro-10-(hydroxymethyl)-15-oxido-8-thia-14-aza-15-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate Basic Attributes

Molecular Weight：

500.0 g/mol

Exact Mass：

499.1002410 g/mol

DSSTox ID：

DTXSID60209476

Characteristics

PSA：

146 Å²

Computed Properties

Molecular Weight:500.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:499.1002410
Monoisotopic Mass:499.1002410
Topological Polar Surface Area:146
Heavy Atom Count:32
Complexity:591
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[5-chloro-10-(hydroxymethyl)-15-oxido-8-thia-14-aza-15-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate

Basic Attributes
Characteristics
Computed Properties

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