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Midostaurin

CAT: 1596-AR-M01801-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01801-06Size:250 Units
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CAS Number
120685-11-2
Synonyms
N- ((5S,6R,7R,9R) -6-methoxy-5-methyl-14-oxo-5,6,7,8,9,14,15,16-octahydro-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b, h]cyclonona[jkl]cyclopenta[e]-as-indacen-7-yl) -N-methylbenzamide; N-[ (9S,10R,11R,13R) -2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methyl-benzamide; Benzoylstaurosporine; CGP 41231; CGP 41251; N-Benzoylstaurosporine; PKC 412
Molecular Formula
C35H30N4O4
Molecular Weight
570.65
API Name
Midostaurin

Chemical Information

Midostaurin

Midostaurin is an organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. It has a role as an antineoplastic agent and an EC 2.7.11.13 (protein kinase C) inhibitor. It is a member of benzamides, an organic heterooctacyclic compound, an indolocarbazole and a gamma-lactam. It is functionally related to a staurosporine.

CAS Number120685-11-2
PubChem CID9829523
IUPAC NameN-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
Molecular FormulaC35H30N4O4
Molecular Weight570.6
XLogP4.8
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity1140
SMILES
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
InChI
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
InChIKey
BMGQWWVMWDBQGC-IIFHNQTCSA-N
Chemical Structure
2D Structure
2D structure of Midostaurin
CAS: 120685-11-2
CID: 9829523
Formula: C35H30N4O4
MW: 570.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass570.22670545
Monoisotopic Mass570.22670545
Topological Polar Surface Area77.7 Ų
Heavy Atom Count43
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T3211-01Midostaurin
B3709-10Midostaurin (PKC412)
TRC-M343764-50MGMidostaurin-D5
HY-W751179Midostaurin-13C6
HY-10230R-01Midostaurin (Standard)

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