Ganirelix (Q5521314)

UNII

IX503L9WN0

14 February 2018

CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

1 reference

parenteral route of administration

Ganirelix (English)

17 November 2015

0.25 milligram

route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=H01CC01

medical condition treated

ovarian hyperstimulation syndrome

1 reference

English

13 December 2016

pregnancy category

US pregnancy category X

1 reference

1 reference

Medical Subject Headings

15 March 2018

C77423

1 reference

UNII

IX503L9WN0

InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1

14 February 2018

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

GJNXBNATEDXMAK-PFLSVRRQSA-N

2 references

Ganirelix (English)

17 November 2015

14 February 2018

1 reference

14 February 2018

1 reference

English Wikipedia

PubChem CID

16186319

1 reference

matched by identifier from

Italian Wikipedia

16130957

1 reference

InChIKey

GJNXBNATEDXMAK-PFLSVRRQSA-N

ChEBI ID

135910

mapping relation type

exact match

3 references

ChEBI release 2019-10-02

matched by identifier from

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1

ChEMBL ID

CHEMBL1251

1 reference

matched by identifier from

1 reference

1 reference

InChIKey

GJNXBNATEDXMAK-PFLSVRRQSA-N

EC number

689-234-8

0 references

ECHA Substance Infocard ID

100.216.077

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.216.077

27 December 2018

title

N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N 6-(N,N′-diethylamidino)-D-lysyl-L-leucyl-N 6-(N,N′-diethylamidino)-L-lysyl-L-prolyl-D-alaninamide (English)

quotation

CAS no.: 124904-93-4 (English)

1 reference