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Leuprorelin

CAT: 0013-GTR19154255-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154255-01Size:100 mg
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Description
Leuprorelin (Leuprolide) is a GnRH analog and agonist of GnRH receptor, interrupts the normal pulsatile stimulation and desensitizing of the GnRH receptors..
CAS Number
53714-56-0
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
CC (O) =O.NC (N) =NCCC[C@H] (NC (=O) [C@H] (CC (C) C) NC (=O) [C@@H] (CC (C) C) NC (=O) [C@H] (CC1=CC=C (O) C=C1) NC (=O) [C@H] (CO) NC (=O) [C@@H] (NC (=O) [C@H] (CC2N=CNC=2) NC (=O) [C@H]3NC (=O) CC3) CC4C5=C (C=CC=C5) NC=4) C (=O) N6[C@@H] (CCC6) C (=O) NCC
Molecular Formula
C61H88N16O14
Molecular Weight
1269.4502
Notes
For research use only.

Chemical Information

Leuprolide

Leuprolide is an oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-leucyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the acetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty. It has a role as an antineoplastic agent, an anti-estrogen and a gonadotropin releasing hormone agonist.

CAS Number53714-56-0
PubChem CID657181
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC59H84N16O12
Molecular Weight1209.4
XLogP0.7
Topological Polar Surface Area432
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count14
Rotatable Bond Count32
Heavy Atom Count87
Formal Charge0
Complexity2390
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
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
InChIKey
GFIJNRVAKGFPGQ-LIJARHBVSA-N
Chemical Structure
2D Structure
2D structure of Leuprolide
CAS: 53714-56-0
CID: 657181
Formula: C59H84N16O12
MW: 1209.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1209.4
XLogP30.7
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count14
Rotatable Bond Count32
Exact Mass1208.64546218
Monoisotopic Mass1208.64546218
Topological Polar Surface Area432 Ų
Heavy Atom Count87
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
JH919353Leuprorelin
P9055-100mgLeuprorelin Acetate
OM300321-01Leuprorelin Human
AR-L01434-01Leuprolide (Leuprorelin)
163354Anti Leuprorelin Pab
A17986-5Leuprorelin Acetate 5mg
A17986-1Leuprorelin Acetate 1mg
AR-L06930-01Leuprorelin (Leuprolide) Impurity 5 (Des-Ser4-Leuprorelin (Leuprolide) ) Ditrifluoroacetate
AR-L06929-01Leuprorelin (Leuprolide) Impurity 4 ((3-9) -Leuprorelin (Leuprolide) ) Ditrifluoroacetate
RM-L052121-01Leuprolide (Leuprorelin) Impurity 21

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