chempirical

Deslorelin

C64H83N17O12CAS 57773-65-61282.48 g/mol

Open in Covalent MOL file
NHONONH2NNH2NHONHONHNHOOHNHOOHHNONHHNONHNHNOONH
AlcoholAmideGuanidineLactamPhenol

Properties

Molecular formula
C64H83N17O12
Molar mass
1282.48 g/mol
Exact mass
1281.6407 Da
logP
-0.76Crippen estimate
Polar surface area
447.3 Ų
H-bond donors / acceptors
16 / 14
Rotatable bonds
32
Stereocentres
S, S, S, R, S, S, S, S, Sin 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
57773-65-6
SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
InChIKey
GJKXGJCSJWBJEZ-XRSSZCMZSA-N
InChI
InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1

Weigh it out

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

Work with Deslorelin

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

Leuprorelin53714-56-0100 % similar Fertirelin38234-21-895 % similar Leuprolide acetate74381-53-695 % similar Lecirelin61012-19-993 % similar Buserelin57982-77-191 % similar Triptorelin57773-63-490 % similar Gonadorelin33515-09-288 % similar Histrelin76712-82-886 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook