CETRORELIX

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C70H92ClN17O14
Molecular Weight	1431.038
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CETRORELIX

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=SBNPWPIBESPSIF-MHWMIDJBSA-N

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

HIDE SMILES / InChI

Molecular Formula	C70H92ClN17O14
Molecular Weight	1431.038
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:32:31 UTC 2023` Edited by `admin` on `Fri Dec 15 15:32:31 UTC 2023`
Record UNII	OON1HFZ4BA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CETRORELIX

Official Name

English

N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-P-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-L-TYROSYL-N(SUP 5)-CARBAMOYL-D-ORNITHYL-L-LEUCYL-L-ARGINYL-L-PROLYL-D-ALANINAMIDE

Common Name

English

CETRORELIX [VANDF]

Common Name

English

CETRORELIX [EMA EPAR]

Common Name

English

Cetrorelix [WHO-DD]

Common Name

English

CETRORELIX [ORANGE BOOK]

Common Name

English

CETRORELIX [MI]

Common Name

English

CETRORELIX [HSDB]

Common Name

English

cetrorelix [INN]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175839

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

NCI_THESAURUS

C2092

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

NDF-RT

N0000175084

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

WHO-VATC

QH01CC02

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

WHO-ATC

H01CC02

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

EMA ASSESSMENT REPORTS

CETROTIDE (AUTHORIZED: OVULATION INDUCTION)

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

NDF-RT

N0000008638

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1200490

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

PRIMARY

DRUG BANK

DB00050

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

PRIMARY

FDA UNII

OON1HFZ4BA

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

PRIMARY

CAS

120287-85-6

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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INN

6661

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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CHEBI

59224

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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SMS_ID

100000085454

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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NCI_THESAURUS

C2481

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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PUBCHEM

25074887

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

PRIMARY

EVMPD

SUB07459MIG

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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IUPHAR

1190

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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WIKIPEDIA

CETRORELIX

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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DRUG CENTRAL

583

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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MERCK INDEX

m3295

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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Merck Index

RXCUI

68147

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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RxNorm

DAILYMED

OON1HFZ4BA

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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EPA CompTox

DTXSID7040996

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

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HSDB

7696

Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023

PRIMARY

Related Record Type Details


					MJK4KMT12V

GONADOTROPIN-RELEASING HORMONE RECEPTOR

TARGET -> INHIBITOR

Amount:


					W9Y8L7GP4C

CETRORELIX ACETATE

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					OON1HFZ4BA

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:

26089221C6

CETRORELIX TRIFLUOROACETATE

SALT/SOLVATE -> PARENT


					DY3PDH8A8N

DICETRORELIX PAMOATE

SALT/SOLVATE -> PARENT


					XPQ226310Q

CETRORELIX MONOACETATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					OON1HFZ4BA

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC				SUBCUTANEOUS ADMINISTRATION SINGLE DOSE

Tmax	PHARMACOKINETIC				SINGLE DOSE SUBCUTANEOUS ADMINISTRATION

Biological Half-life	PHARMACOKINETIC				SUBCUTANEOUS ADMINISTRATION SINGLE DOSE