chempirical

Avatrombopag maleate

C33H38Cl2N6O7S2CAS 677007-74-8765.72 g/mol

Open in Covalent MOL file
NNNSNHONNOHOClSClOOHOHO
AlkeneAmideAryl halideCarboxylic acidTertiary amine

Properties

Molecular formula
C33H38Cl2N6O7S2
Molar mass
765.72 g/mol
Exact mass
764.1620 Da
logP
6.29Crippen estimate
Polar surface area
176.5 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
9
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
677007-74-8
SMILES
C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)Cl.C(=C\C(=O)O)\C(=O)O
InChIKey
MISPBGHDNZYFNM-BTJKTKAUSA-N
InChI
InChI=1S/C29H34Cl2N6O3S2.C4H4O4/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40;5-3(6)1-2-4(7)8/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38);1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Avatrombopag maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, diastereomer Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined Avatrombopag570406-98-3Free base Iron(II) fumarate141-01-5Salt, diastereomer Enalapril maleate76095-16-4Salt Chlorpheniramine maleate113-92-8Salt, stereo not defined Timolol maleate26921-17-5Salt Pyrilamine maleate59-33-6Salt, stereo not defined Sodium fumarate5873-57-4Salt, diastereomer Clemastine fumarate14976-57-9Salt, diastereomer Calcium fumarate19855-56-2Salt, diastereomer

Similar compounds

5,6-Dichloro-N-(4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)nicotinamide570403-04-270 % similar 4-(4-Chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolamine570407-42-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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