Gonadorelin diacetate hydrate - CAS 78308-49-3

Gonadorelin diacetate hydrate is a decapeptide that stimulates the synthesis and secretion of both pituitary gonadotropins, Luteinizing Hormone and Follicle Stimulation Hormone. GnRH is produced by neurons in the septum preoptic area of the hypothalamus and released into the pituitary portal blood, leading to stimulation of gonadotrophs in the anterior pituitary gland.

Catalog Number: I028211

CAS Number: 78308-49-3

Molecular Formula: C59H91N17O21

Molecular Weight:1374.47

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsGonadorelin diacetate hydrate; Luteinizing hormone-releasing factor acetate (salt) hydrate

Property

Molecular Formula: C59H91N17O21
Molecular Weight1374.47
SolubilitySoluble in DMSO
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name(S)-N-(2-amino-2-oxoethyl)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl)pyrrolidine-2-carboxamide diacetate tetrahydrate
InChIInChI=1S/C55H75N17O13.2C2H4O2.4H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)61-25-44(56)75)66-46(77)26-62-47(78)39(20-30-11-13-34(74)14-12-30)68-52(83)42(27-73)71-51(82)40(22-32-21-31-7-3-4-8-35(31)64-32)70-50(81)41(23-33-24-59-28-63-33)69-48(79)36-15-16-45(76)65-36;2*1-2(3)4;;;;/h3-4,7-8,11-14,21,24,28-29,36-43,64,73-74H,5-6,9-10,15-20,22-23,25-27H2,1-2H3,(H2,56,75)(H,59,63)(H,61,84)(H,62,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,79)(H,70,81)(H,71,82)(H4,57,58,60);2*1H3,(H,3,4);4*1H2/t36-,37-,38-,39-,40-,41-,42-,43-;;;;;;/m0....../s1
InChIKeyQZBIKDNLZRFYMZ-KYOBJPNESA-N
SMILESO.O.O.O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@@H]5CCC(=O)N5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)NCC(=O)N.CC(=O)O.CC(=O)O