ozarelix (Q27286888)

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chemical compound

Ozarelix

Language	Label	Description	Also known as
English	ozarelix	chemical compound	Ozarelix

Statements

type of chemical entity

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chemical compound

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chemical structure

Ozarelix.svg
512 × 189; 31 KB

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1,457.701±0 dalton

1 reference

language of work or name

Ozarelix (English)

14 October 2016

chemical formula

C₇₂H₉₆ClN₁₇O₁₄

1 reference

language of work or name

Ozarelix (English)

14 October 2016

canonical SMILES

CCCCC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCCNC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N(C)C(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C

1 reference

language of work or name

Ozarelix (English)

14 October 2016

isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=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

1 reference

language of work or name

Ozarelix (English)

14 October 2016

Identifiers

InChI=1S/C72H96ClN17O14/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104)/t42-,52+,53-,54+,55-,56-,57-,58+,59+,60+/m1/s1

1 reference

based on heuristic

inferred from SMILES

KATZUZNTRINHDT-HALMFYTRSA-N

1 reference

language of work or name

Ozarelix (English)

14 October 2016

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

ozarelix (English)

14 October 2016

1 reference

language of work or name

Ozarelix (English)

14 October 2016

2 references

language of work or name

Ozarelix (English)

14 October 2016

matched by identifier from

KATZUZNTRINHDT-HALMFYTRSA-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

KATZUZNTRINHDT-HALMFYTRSA-N

DSSTOX compound identifier

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1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

[No public or meaningful name is available] (English)

CAS no.: 295350-45-7 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

[No public or meaningful name is available] (English)

CAS no.: 295350-45-7 (English)

1 reference

matched by identifier from

KATZUZNTRINHDT-HALMFYTRSA-N

2 references

Global Substance Registration System

language of work or name

ozarelix (English)

14 October 2016

matched by identifier from

KATZUZNTRINHDT-HALMFYTRSA-N

Probes And Drugs ID

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Google Knowledge Graph ID

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Sitelinks

Wikipedia(1 entry)

enwiki Ozarelix

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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