chempirical

Anamorelin

C31H42N6O3CAS 249921-19-5546.72 g/mol

Open in Covalent MOL file
NNONOHNHNOH2N
AmidePrimary amineTertiary amine

Properties

Molecular formula
C31H42N6O3
Molar mass
546.72 g/mol
Exact mass
546.3318 Da
logP
3.56Crippen estimate
Polar surface area
118.3 Ų
H-bond donors / acceptors
3 / 5
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
249921-19-5
SMILES
CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(O)C(C)(C)N)C1
InChIKey
VQPFSIRUEPQQPP-MXBOTTGLSA-N
InChI
InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • 3-Piperidinecarboxylic acid, 1-[(2R)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-, 1,2,2-trimethylhydrazide, (3R)-
  • 3-Piperidinecarboxylic acid, 1-(2-methylalanyl-D-tryptophyl)-3-(phenylmethyl)-, trimethylhydrazide, (3R)-
  • RC 1291

Work with Anamorelin

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.

Anamorelin hydrochloride861998-00-7Salt

Similar compounds

Capromorelin193273-66-445 % similar Glycyl-L-tryptophan2390-74-137 % similar N-(Benzyloxycarbonyl)-DL-tryptophan13058-16-737 % similar N-tert-Butoxycarbonyl-L-tryptophan13139-14-537 % similar N-(Benzyloxycarbonyl)-D-tryptophan2279-15-437 % similar tert-Butoxycarbonyl-D-tryptophan5241-64-537 % similar N-[(Phenylmethoxy)carbonyl]-L-tryptophan phenylmethyl ester69876-37-537 % similar Benzyloxycarbonyl-L-tryptophan7432-21-537 % similar

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

Elsewhere

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