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Cetrotide

Also known as Cetrorelix diacetate, Cetrorelix (diacetate), Cetrorelix acetate

CAS 130143-01-0Formula C74H100ClN17O18Molar mass 1,551.17 g/molEC 685-076-9
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 4 suppliers listed
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Cetrotide chemical structure, C74H100ClN17O18, CAS 130143-01-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
130143-01-0
Formula
C74H100ClN17O18
Molar mass
1,551.17 g/mol
EC number
685-076-9
HS code
293339
Category
Peptides

What is Cetrotide?

Plain description, key identifiers and synonyms

Cetrotide is a chemical substance with the molecular formula C74H100ClN17O18 and a molar mass of 1,551.17 g/mol. Its CAS registry number is 130143-01-0. The IUPAC name is (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide, acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide, acetic acid
CAS number
130143-01-0
EC number
685-076-9
Molecular formula
C74H100ClN17O18
UNII
W9Y8L7GP4C
InChIKey
DTPVYWHLQLAXFT-SMCUOGPFSA-N
InChI
InChI=1S/C70H92ClN17O14.2C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;2*1-2(3)4/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);2*1H3,(H,3,4)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;;/m1../s1
Canonical SMILES
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O.CC(=O)O.CC(=O)O
Isomeric SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O.CC(=O)O

Synonyms

  • Cetrorelix diacetate
  • Cetrorelix (diacetate)
  • Cetrorelix acetate
  • Cetrorelixdiacetate
  • SB-075 diacetate
  • C74H100ClN17O18

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
1,551.17 g/molcalc.
Exact mass
1,549.7121 Dacalc.
LogP (octanol/water)
-0.53calc.
Topological polar surface area
572.8 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
38calc.
Heavy atoms
110calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
3calc.
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)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1)NCC(=O)N1CCCC1

O=C(CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1)NCC(=O)N1CCCC1

6 rings, 68 atoms.

19 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H319Causes serious eye irritation.
  • H360May damage fertility or the unborn child.
Precautionary statements (8)
  • P203Obtain, read and follow all safety instructions before use.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P337 + P317If eye irritation persists: Get medical help.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Cetrotide suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 4 suppliers
4 of 4 offers

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Where suppliers are based

4 suppliers in 2 countries

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Cetrotide price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Cetrotide is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Cetrotide?

Cetrotide is a chemical substance with the molecular formula C74H100ClN17O18 and a molar mass of 1,551.17 g/mol. Its CAS registry number is 130143-01-0.

What is the CAS number of Cetrotide?

The CAS registry number of Cetrotide is 130143-01-0.

What is the molecular formula and weight of Cetrotide?

The molecular formula of Cetrotide is C74H100ClN17O18 and its molar mass is 1,551.17 g/mol.

Is Cetrotide hazardous?

Cetrotide carries the GHS signal word "Danger". Main hazards: causes serious eye irritation, may damage fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cetrotide?

Cetrotide is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cetrotide?

CompoundList lists 4 suppliers of Cetrotide in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cetrotide?

Suppliers quote Cetrotide 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

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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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