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Bortezomib S-Hydroperoxide

CAT: 1596-AR-B01867-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01867-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
886979-81-3
Synonyms
N- ((S) -1- (((S) -1-Hydroperoxy-3-methylbutyl) amino) -1-oxo-3-phenylpropan-2-yl) pyrazine-2-carboxamide; (S, S) -Hydroperoxy Des (boric Acid) Bortezomib.
Molecular Formula
C19H24N4O4
Molecular Weight
372.43
API Name
Bortezomib

Chemical Information

N-((S)-1-(((S)-1-Hydroperoxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
CAS Number886979-81-3
PubChem CID137705736
IUPAC NameN-[1-[(1-hydroperoxy-3-methylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
Molecular FormulaC19H24N4O4
Molecular Weight372.4
XLogP1.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity469
SMILES
CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)OO
InChI
InChI=1S/C19H24N4O4/c1-13(2)10-17(27-26)23-18(24)15(11-14-6-4-3-5-7-14)22-19(25)16-12-20-8-9-21-16/h3-9,12-13,15,17,26H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
ATPZUYZYORUVIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((S)-1-(((S)-1-Hydroperoxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
CAS: 886979-81-3
CID: 137705736
Formula: C19H24N4O4
MW: 372.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass372.17975526
Monoisotopic Mass372.17975526
Topological Polar Surface Area113 Ų
Heavy Atom Count27
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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AR-B01868-01Bortezomib R-Hydroperoxide
AR-B02395-01Bortezomib Impurity (S, S-Isomer)
AR-B07547-01Bortezomib Intermediate (S, R)
AR-B01846-01Bortezomib Impurity 1 (S, S-Isomer)
AR-B01845-01Bortezomib Impurity 1 (R, S-Isomer)
AR-B01852-01Bortezomib Impurity 2 (S, R-Isomer)
AR-B02393-01Bortezomib
AR-B01851-01Bortezomib Impurity A (Bortezomib Amide Analog)
AR-B01865-01Bortezomib Trimer

Alternative Products

CatalogName
RM-B201415-01Bortezomib Impurity S
RM-B201466-01Bortezomib Impurity 66 (S, S-Isomer)
TRC-H715415-0.5MG(S,S)-Hydroperoxy Des(boric Acid) Bortezomib
TRC-H715405-10MG(S)-Hydroperoxy Des(boric Acid) Bortezomib
TRC-H935905-0.5MG(S)-Hydroxy Des(boric Acid) Bortezomib
TRC-P842600-250MG(R, S)-2-[(2-Pyrazinylcarbonyl)-Bortezomib
465634-01S-Hydroperoxy Des (boric Acid) Bortezomib
166436S-Hydroxy Des (boric Acid) Bortezomib
sc-490419(S) -Hydroxy Des (boric Acid) Bortezomib
465635-01S-Hydroxy-O-ethyl Des (boric Acid) Bortezomib

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