 Home > Encyclopedia > 7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one;hydrochloride

7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one;hydrochloride

7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one;hydrochloride structure

CAS No:
2411004-22-1
Formula:
C25H27ClF2N8O4S2
Chemical Name:
7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one;hydrochloride
Synonyms:
UNII-7S7WQ84A3H;7S7WQ84A3H;Inupadenant hydrochloride;Inupadenant hydrochloride [USAN];EOS105000;(+)-5-amino-3-(2-(4-(2,4-difluoro-5-(2-((S)- methanesulfinyl)ethoxy)phenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)thiazolo(5,4-e)(1,2,4)triazolo(1,5-c)pyrimidin-2(3H)-one, hydrochloride (1:1);2411004-22-1;Thiazolo(5,4-e)(1,2,4)triazolo(1,5-c)pyrimidin-2(3H)-one, 5-amino-3-(2-(4-(2,4-difluoro-5-(2-((S)-methylsulfinyl)ethoxy)phenyl)-1-piperazinyl)ethyl)-8-(2-furanyl)-, hydrochloride (1:1)

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7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one;hydrochloride Basic Attributes

Molecular Weight：

641.1 g/mol

Exact Mass：

640.1253277 g/mol

UNII：

7S7WQ84A3H

Characteristics

PSA：

180 Å²

Computed Properties

Molecular Weight:641.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:640.1253277
Monoisotopic Mass:640.1253277
Topological Polar Surface Area:180
Heavy Atom Count:42
Complexity:955
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Hot Searches: methanol structure; 1-bromo-2-methylpropane; sodium hydrochloride; phosphorus pentachloride formula; 2 methyl 2 butene; 2-hexanone

Guide of 7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one;hydrochloride

Basic Attributes
Characteristics
Computed Properties

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