(Q7099046)

English

Optochin

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Optochin.png
484 × 484; 8 KB

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mass

340.21507813599993 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈N₂O₂

2 references

imported from Wikimedia project

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O

1 reference

stated in

PubChem

isomeric SMILES

CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1

0 references

InChIKey

SUWZHLCNFQWNPE-LATRNWQMSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

522-60-1

2 references

imported from Wikimedia project

English Wikipedia

InChIKey

SUWZHLCNFQWNPE-LATRNWQMSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=522-60-1

PubChem CID

87880

1 reference

matched by identifier from

InChIKey

SUWZHLCNFQWNPE-LATRNWQMSA-N

ChEBI ID

86455

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1

ChEMBL ID

CHEMBL534999

1 reference

imported from Wikimedia project

2 references

inferred from InChIKey

matched by identifier from

InChIKey

SUWZHLCNFQWNPE-LATRNWQMSA-N

1 reference

0 references

DSSTOX compound identifier

DTXCID401323964

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EC number

208-333-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.577

retrieved

27 December 2018

title

Ethylhydrocupreine (English)

quotation

CAS no.: 522-60-1 (English)

ECHA Substance Infocard ID

100.007.577

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.577

retrieved

27 December 2018

title

Ethylhydrocupreine (English)

quotation

CAS no.: 522-60-1 (English)

AICS Chemical ID (BEING DELETED)

4657

0 references

UNII

4W030VS2OG

1 reference

matched by identifier from

InChIKey

SUWZHLCNFQWNPE-LATRNWQMSA-N

0 references

1 reference

0 references

Microsoft Academic ID

2777702824

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Sitelinks

Wikipedia(5 entries)

azbwiki اوپتوکین
enwiki Optochin
fawiki اوپتوکین
shwiki Optohin
srwiki Optohin

(Q7099046)

Optochin

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Wikipedia(5 entries)

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