Naloxegol oxalate

C36H55NO15CAS 1354744-91-4741.83 g/mol

Open in Covalent MOL file
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AlcoholAlkeneCarboxylic acidEtherPhenolTertiary amine

Properties

Molecular formula
C36H55NO15
Molar mass
741.83 g/mol
Exact mass
741.3572 Da
logP
1.02Crippen estimate
Polar surface area
201.4 Ų
H-bond donors / acceptors
4 / 14
Rotatable bonds
24
Stereocentres
S, S, R, S, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
1354744-91-4
SMILES
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC=C)O.C(=O)(C(=O)O)O
InChIKey
MNYIRXLCPODKLG-VUTNLTPYSA-N
InChI
InChI=1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1

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

Work with Naloxegol oxalate

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.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt Caesium oxalate1068-63-9Salt

Similar compounds

Naloxone hydrochloride357-08-455 % similar Naloxone hydrochloride dihydrate51481-60-853 % similar Naltrexone16590-41-344 % similar Naltrexone hydrochloride16676-29-243 % similar Nalmefene hydrochloride58895-64-041 % similar Morphine57-27-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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