Ibutamoren mesylate

C28H40N4O8S2CAS 159752-10-0624.77 g/mol

Open in Covalent MOL file
ONHOONNSOONH2SOOOH
AmideEtherPrimary amineSulfonamideSulfonic acid

Properties

Molecular formula
C28H40N4O8S2
Molar mass
624.77 g/mol
Exact mass
624.2288 Da
logP
1.27Crippen estimate
Polar surface area
176.4 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
8
Stereocentres
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
159752-10-0
SMILES
CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N.CS(=O)(=O)O
InChIKey
DUGMCDWNXXFHDE-VZYDHVRKSA-N
InChI
InChI=1S/C27H36N4O5S.CH4O3S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27;1-5(2,3)4/h4-12,22H,13-19,28H2,1-3H3,(H,29,33);1H3,(H,2,3,4)/t22-;/m1./s1

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Names and synonyms

6 names
  • Mk 0677
  • Propanamide, 2-amino-N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl-, methanesulfonate (1:1)
  • Propanamide, 2-amino-N-[2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl-, (R)-, monomethanesulfonate
  • Propanamide, 2-amino-N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl-, monomethanesulfonate
  • MK 677
  • Crescendo

Work with Ibutamoren mesylate

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.

Methanesulfonic acid75-75-2Free acid Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt Nafamostat mesylate82956-11-4Salt

Similar compounds

1,1-Dimethylethyl N-[2-[[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]amino]-1,1-dimethyl-2-oxoethyl]carbamate159634-87-469 % similar Capromorelin193273-66-449 % similar Anamorelin249921-19-535 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-134 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-834 % similar Anamorelin hydrochloride861998-00-734 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-133 % similar Boc-ser(bzl)-osu13650-73-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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