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Chemistry

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Also known as:
Molecular Formula
C31H33N5O4
Molecular Weight
539.6  g/mol
InChI Key
XZXHXSATPCNXJR-ZIADKAODSA-N

Nintedanib Esylate
1 2D Structure

Nintedanib Esylate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate
2.1.2 InChI
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
2.1.3 InChI Key
XZXHXSATPCNXJR-ZIADKAODSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5
2.1.5 Isomeric SMILES
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N/C(=C\3/C4=C(C=C(C=C4)C(=O)OC)NC3=O)/C5=CC=CC=C5
2.2 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 539.6 g/mol
Molecular Formula C31H33N5O4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass539.25325455 g/mol
Monoisotopic Mass539.25325455 g/mol
Topological Polar Surface Area94.2 A^2
Heavy Atom Count40
Formal Charge0
Complexity947
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameOfev
Drug LabelOFEV capsules contain nintedanib, a kinase inhibitor [see Mechanism of Action (12.1)]. Nintedanib is presented as the ethanesulfonate salt (esylate), with the chemical name 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[(4-methyl-1-piperazin...
Active IngredientNintedanib
Dosage FormCapsule
RouteOral
Strength150mg; 100mg
Market StatusPrescription
CompanyBoehringer Ingelheim

2 of 2  
Drug NameOfev
Drug LabelOFEV capsules contain nintedanib, a kinase inhibitor [see Mechanism of Action (12.1)]. Nintedanib is presented as the ethanesulfonate salt (esylate), with the chemical name 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[(4-methyl-1-piperazin...
Active IngredientNintedanib
Dosage FormCapsule
RouteOral
Strength150mg; 100mg
Market StatusPrescription
CompanyBoehringer Ingelheim

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21-Jan-2021
16-Jul-2024
KGS
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Average Price (USD/KGS)

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Quantity (KGS) & Unit rate (USD/KGS) over time

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