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4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;hydrate;dihydrochloride

4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;hydrate;dihydrochloride structure

CAS No:
2375909-85-4
Formula:
C15H25Cl2N3O2
Chemical Name:
4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;hydrate;dihydrochloride
Synonyms:
UNII-CJ368X8WT6;CJ368X8WT6;PTI-125;PTI-910;Simufilam hydrochloride;Simufilam hydrochloride [USAN];1-benzyl-8-methyl-1,4,8-triazaspiro(4.5)decan-2-one, hydrochloride, hydrate (1: 2: 1);1,4,8-Triazaspiro(4.5)decan-2-one, 8-methyl-1-(phenylmethyl)-,hydrochloride, hydrate (1:2:1);2375909-85-4

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4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;hydrate;dihydrochloride Basic Attributes

Molecular Weight：

350.3 g/mol

Exact Mass：

349.1323824 g/mol

UNII：

CJ368X8WT6

Characteristics

PSA：

36.6 Å²

Computed Properties

Molecular Weight:350.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:349.1323824
Monoisotopic Mass:349.1323824
Topological Polar Surface Area:36.6
Heavy Atom Count:22
Complexity:330
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

Hot Searches: triethylamine; sodium tripolyphosphate; ammonium thioglycolate; potassium iodate; non ionic tensides; monoammonium phosphate

Guide of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;hydrate;dihydrochloride

Basic Attributes
Characteristics
Computed Properties

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