(Q7071999)

English

O-2545

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

408.27767839200004 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₃₆N₂O₂

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canonical SMILES

CC1=CCC2C(C1)c1c(O)cc(C(C)(C)CCCCn3ccnc3)cc1OC2(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)C(C)(C)CCCCN4C=CN=C4)O

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Identifiers

InChI

InChI=1S/C26H36N2O2/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3/t20-,21-/m1/s1

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InChIKey

RZGSWWCABDVBGX-NHCUHLMSSA-N

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CAS Registry Number

874745-42-3

2 references

imported from Wikimedia project

English Wikipedia

InChIKey

RZGSWWCABDVBGX-NHCUHLMSSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=874745-42-3

PubChem CID

23658294

1 reference

matched by identifier from

InChIKey

RZGSWWCABDVBGX-NHCUHLMSSA-N

ChEBI ID

230994

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H36N2O2/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3/t20-,21-/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

RZGSWWCABDVBGX-NHCUHLMSSA-N

DSSTOX compound identifier

DTXCID80586115

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Freebase ID

/m/03yblw1

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Wikipedia(3 entries)

enwiki O-2545
shwiki O-2545
srwiki O-2545

(Q7071999)

O-2545

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Wikipedia(3 entries)

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