Ipatasertib Hydrochloride
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Basic information
- CAS
1489263-16-2- Standard SMILES
CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl- InChIKey
DGGYVQQEWGRNDH-GJYOXNSLSA-N- Molecular formula
- C24H33Cl2N5O2
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 493.2011307
Names & identifiers
- Preferred name
- Ipatasertib Hydrochloride
- IUPAC
- (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;hydrochloride
- English name
- (S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one hydrochloride
- Molecular formula
- C24H33Cl2N5O2
- Molecular weight
- 494.45712
Names & synonyms
1489263-16-2Ipatasertib hydrochlorideIpatasertib monohydrochlorideM94BW9PF2LIpatasertib hydrochloride [JAN]Ipatasertib hydrochloride (JAN)(2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-1-propanone hydrochloride (1:1)1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, hydrochloride (1:1), (2S)-(2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-((propan-2-yl)amino)propan-1-one monohydrochloride(2S)-2-(4-Chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-[(propan-2-yl)amino]propan-1-one monohydrochlorideRefChem:148622Ipatasertib HCl
Show more names
EOS-60386GDC0068 HClIpatasertib HCl (GDC0068)
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;hydrochlorideUNII-M94BW9PF2LSCHEMBL15390324SCHEMBL29393010DGGYVQQEWGRNDH-GJYOXNSLSA-NAKOS040748587D11074(S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one hydrochloride
Database identifiers
- CAS
1489263-16-2- PubChem CID
- 72188570
- UNII
- M94BW9PF2L
- EC Number
- 825-519-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- FDA UNII
- 94 BW9PF2L · M94BW9PF2L
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
1 records
Compound notes
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