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2-PyrazinecarboxaMide,N-[(1S)-2-[[(1S)-1-hydroperoxy-3-Methylbutyl]aMino]-2-oxo-1-(phenylMethyl)ethyl]-

2-PyrazinecarboxaMide,N-[(1S)-2-[[(1S)-1-hydroperoxy-3-Methylbutyl]aMino]-2-oxo-1-(phenylMethyl)ethyl]- structure

CAS No:
886979-81-3
Formula:
C19H24N4O4
Chemical Name:
2-PyrazinecarboxaMide,N-[(1S)-2-[[(1S)-1-hydroperoxy-3-Methylbutyl]aMino]-2-oxo-1-(phenylMethyl)ethyl]-
Synonyms:
Bortezomib USP Related Compoud M;N-((S)-1-(((S)-1-hydroperoxy-3-Methylbutyl)aMino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxaMide;Bortezomib Impurity 4;(S)-Hydroperoxy Des(boric Acid) Bortezomib;Bortezomib Impurity 47;N-[(2S)-1-[[(1S)-1-hydroperoxy-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide;Bortezomib USP Impurity M;2-PyrazinecarboxaMide, N-[(1S)-2-[[(1S)-1-hydroperoxy-3-Methylbutyl]aMino]-2-oxo-1-(phenylMethyl)ethyl]-

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2-PyrazinecarboxaMide,N-[(1S)-2-[[(1S)-1-hydroperoxy-3-Methylbutyl]aMino]-2-oxo-1-(phenylMethyl)ethyl]- Basic Attributes

Molecular Weight：

372.42

Exact Mass：

372.17975526

EC Number：

816-338-4

Characteristics

Density：

1.227±0.06 g/cm3

Boiling Point：

709.0±60.0 °C(Predicted)

PKA：

10.96±0.10

Safety Information

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P280, P281, P301+P310, P302+P352, P305+P351+P338, P308+P313, P314, P321, P330, P332+P313, P337+P313, P362, P391, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:372.4
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:372.17975526
Monoisotopic Mass:372.17975526
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:469
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-PyrazinecarboxaMide,N-[(1S)-2-[[(1S)-1-hydroperoxy-3-Methylbutyl]aMino]-2-oxo-1-(phenylMethyl)ethyl]-

Basic Attributes
Characteristics
Safety Information
Computed Properties

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