Anamorelin hydrochloride

C₃₁H₄₃ClN₆O₃CAS 861998-00-7583.17 g/mol

Open in Covalent MOL file

Amide Primary amine Tertiary amine

Properties

Molecular formula: C₃₁H₄₃ClN₆O₃
Molar mass: 583.17 g/mol
Exact mass: 582.3085 Da
logP: 3.14Crippen estimate
Polar surface area: 114.8 Å²
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

861998-00-7

SMILES

CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N.Cl

InChIKey

VFYAEUWJFGTGGO-GHTUPXNNSA-N

InChI

InChI=1S/C31H42N6O3.ClH/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);1H/t26-,31-;/m1./s1

Weigh it out

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Work with Anamorelin hydrochloride

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.

Anamorelin249921-19-5Free base

Similar compounds

Necrostatin-14311-88-040 % similar H-D-Trp-obzl hcl22839-16-335 % similar L-Tryptophan benzyl ester hydrochloride35858-81-235 % similar Endomorphin-1189388-22-534 % similar Boc-trp-ome33900-28-633 % similar Z-Trp-osu50305-28-733 % similar Indoleacetyl phenylalanine57105-50-733 % similar (R)-Tryptophan methyl ester monohydrochloride14907-27-833 % similar

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

Elsewhere

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