Leuprorelin

C₅₉H₈₄N₁₆O₁₂CAS 53714-56-01209.42 g/mol

Open in Covalent MOL file

Alcohol Amide Guanidine Lactam Phenol

Properties

Molecular formula: C₅₉H₈₄N₁₆O₁₂
Molar mass: 1209.42 g/mol
Exact mass: 1208.6455 Da
logP: -1.44Crippen estimate
Polar surface area: 431.5 Å²
H-bond donors / acceptors: 15 / 14
Rotatable bonds: 32
Stereocentres: S, S, S, R, S, S, S, S, Sin SMILES atom order

Hazards

Danger

H360 May damage fertility or the unborn child100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

53714-56-0

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

InChIKey

GFIJNRVAKGFPGQ-LIJARHBVSA-N

InChI

InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Leuprolide

Work with Leuprorelin

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.

Leuprolide acetate74381-53-6Salt

Similar compounds

Deslorelin57773-65-6100 % similar Fertirelin38234-21-895 % similar Buserelin57982-77-191 % similar Triptorelin57773-63-490 % similar Gonadorelin33515-09-288 % similar Histrelin76712-82-886 % similar Triptorelin acetate140194-24-786 % similar Nafarelin76932-56-484 % similar

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

Same formula

Lecirelin61012-19-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook