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76712-82-8

Basic Information
CAS No.: 76712-82-8
Name: Histrelin
Molecular Structure:
Molecular Structure of 76712-82-8 (Histrelin)
Formula: C66H86 N18 O12
Molecular Weight: 1323.51
Synonyms: ORF 17070;RWJ 17070;Vantas;(Des-Gly10,His(Bzl)6,Pro-NHEt9)-LHRH;Luteinizinghormone-releasing factor (pig),6-[1-(phenylmethyl)-D-histidine]-9-(N-ethyl-L-prolinamide)-10-deglycinamide-;1-9-Luteinizinghormone-releasing factor (swine),6-[1-(phenylmethyl)-D-histidine]-9-(N-ethyl-L-prolinamide)-;
EINECS:
Density: 1.46 g/cm3
Melting Point:
Boiling Point: 1800.6oC at 760 mmHg
Flash Point: 1042.8oC
Solubility: Freely soluble in water
Appearance: White or almost white lyophilized powder
Hazard Symbols: ToxicT
Risk Codes: 60
Safety: 53-22-36/37/39-45
Transport Information:
PSA: 446.86000
LogP: 3.79780
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Specification

1. Introduction of Histrelin
Histrelin is one kind of white or almost white lyophilized powder. It can freely soluble in water. The IUPAC Name of this chemical is N-[1-[[1-[[1-[[1-[[3-(1-benzylimidazol-4-yl)-1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl). Histrelin belongs to Peptide. Besides, the Classification Code of it is Antineoplastic Agents; LHRH agonist; Natural Product; Reproductive Effect.

2. Properties of Histrelin
Physical properties about Histrelin are:
(1)H bond acceptors: 30; (2)H bond donors: 17; (3)Freely Rotating Bonds: 36; (4)Polar Surface Area: 446.86 Å2; (5)Index of Refraction: 1.701; (6)Molar Refractivity: 350.516 cm3; (7)Molar Volume: 906.363 cm3; (8)Surface Tension: 64.545 dyne/cm; (9)Density: 1.46 g/cm3; (10)Product Categories: Peptide; (11)Storage Temp: -20°C; (12)Form: powder.

3. Structure Descriptors of Histrelin
(1)InChI: InChI=1/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1
(2)Smiles: N1(C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]2NC(=O)CC2)=O)Cc2[nH]cnc2)=O)Cc2c[nH]c3c2cccc3)=O)CO)=O)Cc2ccc(O)cc2)=O)Cc2ncn(c2)Cc2ccccc2)=O)CC(C)C)=O)CCCNC(=N)N)=O)[C@H](C(=O)NCC)CCC1
(3)InChIKey: InChIKey=HHXHVIJIIXKSOE-QILQGKCVSA-N

4. Safety information of Histrelin
Hazard Codes: ToxicT
Risk Statements: 60
R60:May impair fertility.
Safety Statements: 53-22-36/37/39-45
S53:Avoid exposure - obtain special instructions before use. 
S22:Do not breathe dust. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: OK6370800

5. Uses of Histrelin
Histrelin is a nonapeptide analog of gonadotropin-releasing hormone (GnRH) with added potency. When present in the bloodstream, it acts on particular cells of the pituitary gland called gonadotropes. Histrelin stimulates these cells to release luteinizing hormone and follicle-stimulating hormone. Thus it is considered a gonadotropin-releasing hormone agonist or GnRH agonist.

6. Production of Histrelin
Solid phase synthesis Histrelin. Di (methyl-phenyl) methanamine as a resin, and with a 3-fold excess of the BOC and bicyclo-carbodiimide (DCC) as an activating agent, the reaction in dichloromethane for 2 h, and the BOC-protected glycinecoupling and resin. Then up and down an amino acid, washing, deprotection. Finally, you can get the Histrelin.

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