nafarelin acetate (Q27289963)

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chemical compound

nafarelin acetate anhydrous

Language	Label	Description	Also known as
English	nafarelin acetate	chemical compound	nafarelin acetate anhydrous

Statements

type of chemical entity

0 references

tryptamine alkaloid

1 reference

based on heuristic

inferred from SMILES

1,381.657±0 dalton

1 reference

language of work or name

Synarela (English)

14 October 2016

chemical formula

C₆₈H₈₇N₁₇O₁₅

1 reference

language of work or name

Synarela (English)

14 October 2016

canonical SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O

1 reference

language of work or name

Synarela (English)

14 October 2016

isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O

1 reference

language of work or name

Synarela (English)

14 October 2016

Identifiers

InChI=1S/C66H83N17O13.C2H4O2/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46;1-2(3)4/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71);1H3,(H,3,4)/t46-,47-,48-,49-,50+,51-,52-,53-,54-;/m0./s1

1 reference

based on heuristic

inferred from SMILES

GUJYDLHACHDKAJ-CFWZQLQRSA-N

1 reference

language of work or name

Synarela (English)

14 October 2016

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

nafarelin acetate anhydrous (English)

14 October 2016

1 reference

language of work or name

(2S)-N-(2-Amino-2-oxoethyl)-1-{(2S,5S,8R,11S,14S,17S,20S)-2-(3-carbamimidamidopropyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-isobutyl-8-(2-napht (English)

14 October 2016

2 references

language of work or name

Synarela (English)

14 October 2016

matched by identifier from

GUJYDLHACHDKAJ-CFWZQLQRSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C66H83N17O13.C2H4O2/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46;1-2(3)4/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71);1H3,(H,3,4)/t46-,47-,48-,49-,50+,51-,52-,53-,54-;/m0./s1

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GUJYDLHACHDKAJ-CFWZQLQRSA-N

UniChem compound ID

1 reference

DSSTox substance ID

2 references

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

matched by identifier from

GUJYDLHACHDKAJ-CFWZQLQRSA-N

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

language of work or name

nafarelin acetate anhydrous (English)

14 October 2016

matched by identifier from

GUJYDLHACHDKAJ-CFWZQLQRSA-N

Probes And Drugs ID

0 references

Sitelinks

Wikipedia(2 entries)

dewiki Nafarelinacetat
enwiki Nafarelin acetate

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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