chempirical

Capromorelin

C28H35N5O4CAS 193273-66-4505.62 g/mol

Open in Covalent MOL file
NNNOOHNOH2NO
AmideEtherHydrazoneLactamPrimary amine

Properties

Molecular formula
C28H35N5O4
Molar mass
505.62 g/mol
Exact mass
505.2689 Da
logP
2.56Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom 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
193273-66-4
SMILES
CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)N=C(O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O
InChIKey
KVLLHLWBPNCVNR-SKCUWOTOSA-N
InChI
InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • 2-Amino-N-[(1R)-2-[(3aR)-2,3,3a,4,6,7-hexahydro-2-methyl-3-oxo-3a-(phenylmethyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methylpropanamide
  • Propanamide, 2-amino-N-[(1R)-2-[(3aR)-2,3,3a,4,6,7-hexahydro-2-methyl-3-oxo-3a-(phenylmethyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl-
  • Propanamide, 2-amino-N-[2-[2,3,3a,4,6,7-hexahydro-2-methyl-3-oxo-3a-(phenylmethyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl-, [R-(R*,R*)]-
  • CP 424391

Work with Capromorelin

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

Similar compounds

MK 0677159752-10-051 % similar Anamorelin249921-19-545 % similar 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]carbamate159634-87-441 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-135 % similar N-((Phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine20806-43-333 % similar Proglumide6620-60-632 % similar Anamorelin hydrochloride861998-00-731 % similar

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

Elsewhere

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