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Avorelin

Also known as Meterelin, avorelina, avoreline

CAS 140703-49-7Formula C65H85N17O12Molar mass 1,296.50 g/mol
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Avorelin chemical structure, C65H85N17O12, CAS 140703-49-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
140703-49-7
Formula
C65H85N17O12
Molar mass
1,296.50 g/mol
HS code
293329
Category
Peptides

What is Avorelin?

Plain description, key identifiers and synonyms

Avorelin is a chemical substance with the molecular formula C65H85N17O12 and a molar mass of 1,296.50 g/mol. Its CAS registry number is 140703-49-7. The IUPAC name is (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]-3-(2-methyl-1H-indol-3-yl)-1-oxopropan-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.

Identifiers

Registry numbers, names and line notations, tap to copy

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]-3-(2-methyl-1H-indol-3-yl)-1-oxopropan-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
CAS number
140703-49-7
Molecular formula
C65H85N17O12
UNII
FSB5837STQ
InChIKey
HJNZCKLMRAOTMA-BRBGIFQRSA-N
InChI
InChI=1S/C65H85N17O12/c1-5-69-63(93)54-17-11-25-82(54)64(94)47(16-10-24-70-65(66)67)75-57(87)48(26-35(2)3)76-61(91)52(30-43-36(4)73-45-15-9-7-13-42(43)45)80-58(88)49(27-37-18-20-40(84)21-19-37)77-62(92)53(33-83)81-59(89)50(28-38-31-71-44-14-8-6-12-41(38)44)78-60(90)51(29-39-32-68-34-72-39)79-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-32,34-35,46-54,71,73,83-84H,5,10-11,16-17,22-30,33H2,1-4H3,(H,68,72)(H,69,93)(H,74,85)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,86)(H,80,88)(H,81,89)(H4,66,67,70)/t46-,47-,48-,49-,50-,51-,52+,53-,54-/m0/s1
Canonical SMILES
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1c(C)[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1
Isomeric SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=C(NC3=CC=CC=C32)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8

Synonyms

  • Meterelin
  • avorelina
  • avoreline
  • 2-Me-D-Trp(6),desgly(10)-LHRH ethylamide
  • LHRH Ethylamide, 2-Me-D-trp(6),desgly(10)-
  • 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-2-methyl-D-tryptophyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
  • 5-oxo-Pro-His-Trp-Ser-Tyr-DTrp(2-Me)-Leu-Arg-NH(Et)-prolinamide
  • avorelinum
  • pGlu-His-Trp-Ser-Tyr-DTrp(2-Me)-Leu-Arg-Pro-NHEt

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,296.50 g/molcalc.
Exact mass
1,295.6564 Dacalc.
LogP (octanol/water)
-0.45calc.
Topological polar surface area
447.3 Ųcalc.
Hydrogen bond donors
16calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
32calc.
Heavy atoms
94calc.
Rings
8calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)NCC(=O)N1CCCC1

O=C(CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)NCC(=O)N1CCCC1

8 rings, 74 atoms.

23 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Avorelin suppliers

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Avorelin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Avorelin is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Avorelin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Avorelin, based on the data on this page

What is Avorelin?

Avorelin is a chemical substance with the molecular formula C65H85N17O12 and a molar mass of 1,296.50 g/mol. Its CAS registry number is 140703-49-7.

What is the CAS number of Avorelin?

The CAS registry number of Avorelin is 140703-49-7.

What is the molecular formula and weight of Avorelin?

The molecular formula of Avorelin is C65H85N17O12 and its molar mass is 1,296.50 g/mol.

Is Avorelin hazardous?

No GHS hazard classification for Avorelin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Avorelin?

Avorelin is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avorelin?

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What is the price of Avorelin?

Suppliers quote Avorelin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Avorelin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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