sarecycline (Q25104592)

SARECYCLINE (English)

14 October 2016

chemical formula

C₂₄H₂₉N₃O₈

1 reference

RCSB protein data bank

PDB ligand ID

V7A

16 February 2021

canonical SMILES

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC

1 reference

sarecycline (English)

14 October 2016

isomeric SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC

1 reference

sarecycline (English)

LiverTox likelihood score

14 October 2016

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Sarecycline

last update

10 April 2019

‎WHO Aware Classification

watch

1 reference

2023 ‎AWaRe classification‎

Identifiers

InChI

InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1

1 reference

sarecycline (English)

14 October 2016

1 reference

sarecycline (English)

14 October 2016

2 references

sarecycline (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1035654-66-0

8 April 2021

1 reference

Sarecycline (English)

14 October 2016

1 reference

SARECYCLINE (English)

14 October 2016

DSSTox substance ID

DTXSID001027924

1 reference

ECHA Substance Infocard database

0 references

1 reference

ECHA Substance Infocard ID

100.241.852

27 December 2018

ECHA Substance Infocard ID

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

quotation

CAS no.: 1035654-66-0 (English)

100.241.852

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.241.852

27 December 2018

https://www.whocc.no/atc_ddd_index/?code=J01AA14

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

quotation

CAS no.: 1035654-66-0 (English)

ATC code

J01AA14

1 reference

reference URL

DrugBank ID

DB12035

1 reference

Human Metabolome Database ID

HMDB0304894

2 references

based on heuristic

inferred from InChIKey

2 references

sarecycline (English)

14 October 2016