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CAS 600734-06-3

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2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-, hydrochloride (1:1)

Description:
2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-, hydrochloride (1:1), identified by CAS number 600734-06-3, is a complex organic compound characterized by its unique bicyclic structure that incorporates a pyridine and oxazine moiety. This compound features a dihydro form, indicating the presence of a saturated ring system, and includes a piperidine substituent, which contributes to its potential biological activity. The presence of a cyclopropylmethoxy group and a hydroxyphenyl moiety suggests that it may exhibit interesting pharmacological properties, possibly acting as a modulator of neurotransmitter systems. As a hydrochloride salt, it is likely to be more soluble in water, enhancing its bioavailability for potential therapeutic applications. The specific stereochemistry indicated by the (3S) designation of the piperidine ring may influence its interaction with biological targets, making it a candidate for further investigation in medicinal chemistry and drug development.
Formula:C22H25N3O4·ClH
InChI:InChI=1S/C22H25N3O4.ClH/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17;/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27);1H/t14-;/m1./s1
InChI key:InChIKey=XZTOAEZYOFWVHB-PFEQFJNWSA-N
SMILES:O=C1NC=2C(=C(C=C(N2)C3=C(OCC4CC4)C=CC=C3O)[C@@H]5CCCNC5)CO1.Cl
Synonyms:
  • Bay 65-1942
  • (S)-7-(2-(Cyclopropylmethoxy)-6-hydroxyphenyl)-5-(piperidin-3-yl)-1H-pyrido[2,3-d][1,3]oxazin-2(4H)-one hydrochloride
  • 2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-, hydrochloride (1:1)
  • 2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-(3S)-3-piperidinyl-, monohydrochloride
  • 7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-3-piperidinyl]-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochloride
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