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Intedanib (Nintedanib) Impurity 16

CAT: 1299-RM-N140442-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N140442-01Size:10 mg
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CAS Number
894783-61-0
Synonyms
Methyl (Z) -3- (((4- (2- (4-methylpiperazin-1-yl) acetamido) phenyl) amino) (phenyl) methylene) -2-oxoindoline-6-carboxylate
Molecular Formula
C30H31N5O4
Molecular Weight
525.61
Target Alternative Name
Intedanib; Nintedanib
Product Name Synonym
Methyl (Z) -3- (((4- (2- (4-methylpiperazin-1-yl) acetamido) phenyl) amino) (phenyl) methylene) -2-oxoindoline-6-carboxylate

Chemical Information

Desmethyl nintedanib
CAS Number894783-61-0
PubChem CID135914548
IUPAC Namemethyl 2-hydroxy-3-[N-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
Molecular FormulaC30H31N5O4
Molecular Weight525.6
XLogP4.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity861
SMILES
CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
InChI
InChI=1S/C30H31N5O4/c1-34-14-16-35(17-15-34)19-26(36)31-22-9-11-23(12-10-22)32-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39-2)18-25(24)33-29(27)37/h3-13,18,33,37H,14-17,19H2,1-2H3,(H,31,36)
InChIKey
XEAUACZGIRFTPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethyl nintedanib
CAS: 894783-61-0
CID: 135914548
Formula: C30H31N5O4
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass525.23760449
Monoisotopic Mass525.23760449
Topological Polar Surface Area110 Ų
Heavy Atom Count39
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-N01603-01Nintedanib Impurity 7 (Intedanib Impurity 7)
AR-N01610-01Nintedanib Impurity 9 (Intedanib Impurity 9)
AR-N08785-01Nintedanib Impurity 81 (Intedanib Impurity 81)
AR-N01614-01Nintedanib Impurity 13 (Intedanib Impurity 13)
AR-N01623-01Nintedanib Impurity 22 (Intedanib Impurity 22)
AR-N01611-01Nintedanib Impurity 10 (Intedanib Impurity 10)
AR-N01612-01Nintedanib Impurity 11 (Intedanib Impurity 11)
AR-N01613-01Nintedanib Impurity 12 (Intedanib Impurity 12)
AR-N01619-01Nintedanib Impurity 18 (Intedanib Impurity 18)
AR-N01598-01Nintedanib Impurity 2 (Intedanib Impurity 2)

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