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loading...| Preferred Name |
bemotrizinol |
|
| Synonyms |
Tinosorb S |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135857 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:3014 CAS:187393-00-6 |
|
| formula |
C38H49N3O5 |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
Tinosorb S |
|
| id |
CHEBI:135857 |
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| in_subset | ||
| inchi |
InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3 |
|
| inchikey |
XVAMCHGMPYWHNL-UHFFFAOYSA-N |
|
| label |
bemotrizinol |
|
| mass |
627.814 |
|
| monoisotopicmass |
627.36722 |
|
| notation |
CHEBI:135857 |
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| prefLabel |
bemotrizinol |
|
| smiles |
OC1=C(C=2N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=C(O)C=C(C=C4)OCC(CCCC)CC)C=CC(=C1)OCC(CCCC)CC |
|
| subClassOf |
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