goserelin acetate (Q27265738)

PubChem

PubChem CID

16052011

Goserelin acetate (English)

20 November 2016

isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O

1 reference

Goserelin acetate (English)

medical condition treated

20 November 2016

1 reference

13 December 2016

1 reference

13 December 2016

1 reference

InChI=1S/C59H84N18O14.C2H4O2/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38;1-2(3)4/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90);1H3,(H,3,4)/t38-,39-,40-,41-,42-,43-,44-,45+,46-;/m0./s1

13 December 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

IKDXDQDKCZPQSZ-JHYYTBFNSA-N

1 reference

Global Substance Registration System

Goserelin acetate (English)

20 November 2016

1 reference

UNII

6YUU2PV0U8

goserelin acetate (English)

20 November 2016

1 reference

5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,7R,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-7-{[(2-methyl- (English)

14 October 2016

1 reference

Goserelin acetate (English)

20 November 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

GOSERELIN ACETATE (English)

20 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID7026736

0 references

EC number

652-995-1

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.180.239

27 December 2018

ECHA Substance Infocard ID

1-(2-{2-[3-(tert-butoxy)-2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido}-5-[(diaminomethylidene)amino]pentanoyl)-N-(carbamoylamino)pyrrolidine-2-carboxamide; acetic acid (English)

quotation

CAS no.: 145781-92-6 (English)

100.180.239

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.180.239

27 December 2018

1-(2-{2-[3-(tert-butoxy)-2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido}-5-[(diaminomethylidene)amino]pentanoyl)-N-(carbamoylamino)pyrrolidine-2-carboxamide; acetic acid (English)

quotation

CAS no.: 145781-92-6 (English)

RxNorm ID

203146

1 reference

Global Substance Registration System

UNII

6YUU2PV0U8