Gonadorelin Acetate - ≥98% , CAS No.71447-49-9

CAS: 71447-49-9 Cat. No.: G416682 Formula: C₅₉H₈₃N₁₇O₁₇ Molecular Weight: 1302.4 EC Number: 636-116-9 PubChem CID: 56841073

GRADE & PURITY ≥98%

Synonyms

LHRH diacetate | S-71447-49-9 | LH-RH, human | AKOS030485979 | Gonadorelin diacetate | Gonadorelin Acetate (33515-09-2 free base) | Gonadorelin diacetate (JP17) | AKOS040758695 | UNII-7AT6GVO7OA | DTXSID201339012 | 7AT6GVO7OA | D03267

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Gonadorelin Acetate (33515-09-2 free base) (Luteinizing Hormone Releasing Hormone (LH-RH)) is hypothalamic neuropeptide which plays a key role in the control of reproductive functions.

Specifications

Synonyms

LHRH diacetate | S-71447-49-9 | LH-RH, human | AKOS030485979 | Gonadorelin diacetate | Gonadorelin Acetate (33515-09-2 free base) | Gonadorelin diacetate (JP17) | AKOS040758695 | UNII-7AT6GVO7OA | DTXSID201339012 | 7AT6GVO7OA | D03267

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504771465

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771465

Canonical Smiles

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O.CC(=O)O

IUPAC Name

acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]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

InChIKey

QOVPLTBEZAJSHY-VIRDRFNDSA-N

INCHI

1S/C55H75N17O13.2C2H4O2/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)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;2*1-2(3)4/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);2*1H3,(H,3,4)/t36-,37-,38-,39-,40-,41-,42-,43-;;/m0../s1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=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.CC(=O)O.CC(=O)O

Alternate CAS

33515-09-2；51952-41-1

PubChem CID

56841073

Molecular Weight

1302.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Serine and derivatives Tryptamines and derivatives 3-alkylindoles Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones Substituted pyrroles N-acyl amines Heteroaromatic compounds Imidazoles Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Guanidines Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Primary alcohols Organic oxides
• Molecular Framework: Not available
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Triptan - Alpha-amino acid amide - Serine or derivatives - Amphetamine or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - N-substituted-alpha-amino acid - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Substituted pyrrole - N-acyl-amine - 2-pyrrolidone - Pyrrolidone - Azole - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Pyrrolidine - Pyrrole - Primary carboxylic acid amide - Carboxamide group - Guanidine - Lactam - Secondary carboxylic acid amide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Primary alcohol - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 1302.400 g/mol
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 31
• Exact Mass: 1301.62 Da
• Monoisotopic Mass: 1301.62 Da
• Topological Polar Surface Area: 549.000 Ų
• Heavy Atom Count: 93
• Formal Charge: 0
• Complexity: 2420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 71447-49-9, the molecular formula is C59H83N17O17, and the molecular weight is 1302.4 g/mol. InChIKey QOVPLTBEZAJSHY-VIRDRFNDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.