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Hormonal & Sexual Health

Cetrorelix

Space-filling model of Cetrorelix

Last updated

Evidence on fileFDA-approved · 1 randomised human trial · 1 citation not yet graded
Strongest sourceOvarian stimulation with HMG: results of a prospective randomized phase III European study comparing the lute… (randomised human trial)

Regulatory status

Approved by the FDA. Marketed as CETROTIDE, CETRORELIX ACETATE. Earliest approval 2000-08-11. Application NDA021197, ANDA214540, ANDA217776, ANDA218150.

An approval grades as rung 1 on this site, because 21 CFR 314.126 requires adequate and well-controlled human investigations and one cannot be granted without them. It covers specific indications and doses, though, and does not transfer to other uses of the same molecule.

Dosing on file unverified

0.25 mg SC QD starting day 5-6 of stimulation until hCG day; 3 mg single dose also available

Carried from a source that labels it unverified, and reproduced with that label attached. A record of what is reported, not a recommendation. No citation on this page establishes it.

Literature on file 3

Not graded

1 citation whose study design could not be read from the title. Left ungraded rather than guessed at.

Identity

PubChem CID 25074887 computed 3D conformer Space-filling 3D model of Cetrorelix, carbon grey, nitrogen blue, oxygen red
Built from the SMILES on this record — the atoms, bonds and stereochemistry are exact. The shape is one computed low-energy pose, not a measured structure: a flexible peptide in solution has no single conformation. The skeletal formula below claims connectivity and nothing more, which is what we actually know.
Skeletal formulathe canonical depiction
2D chemical structure of Cetrorelix

Drawn by PubChem from CID 25074887, the identifier on this record.

Molecular weight
1431.0
Molecular formula
C70H92ClN17O14
CAS number
120287-85-6
PubChem CID
25074887
InChI key
SBNPWPIBESPSIF-MHWMIDJBSA-N
Sequence
XXXSYXLRPA
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
InChI
InChI=1S/C70H92ClN17O14/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/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)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1

Notes unverified prose

FDA-approved (Cetrotide); DailyMed; Drugs.com

Not on file 0

All 8 tracked fields hold a value on this record: molecular weight and formula, CAS number, PubChem CID, amino-acid sequence, SMILES, InChI and InChI key.

Counted from the record itself, not from what a source said it was missing. 136 of 185 records still have at least one empty.

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www.peptidecorpus.com/peptides/cetrorelix