clomocycline (Q4925524)

DrugBank

image of molecular model or crystal lattice model

17 November 2015

Clomocycline.png
809 × 351; 11 KB

0 references

Clomocycline 3D ball.png
2,000 × 1,058; 437 KB

depicts

ball-and-stick model

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mass

508.1249 dalton

1 reference

CLOMOCYCLINE (English)

3 October 2016

chemical formula

C₂₃H₂₅ClN₂O₉

1 reference

Clomocycline (English)

publication date

17 November 2015

canonical SMILES

CC1(C2(CC3(C(C(=C(C(C3(C(=C2C(C4=C(C=CC(=C41)Cl)O)=O)O)O)=O)C(=NCO)O)O)(N(C)C)[H])[H])[H])O

1 reference

clomocycline (English)

3 October 2016

isomeric SMILES

CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C4=C(O)C=CC(Cl)=C4[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(=O)NCO)=C1O

1 reference

https://www.whocc.no/atc_ddd_index/?code=J01AA11

14 February 2018

1.0 gram

route of administration

oral administration

1 reference

reference URL

World Health Organisation international non-proprietary name

clomocycline (English)

1 reference

‎WHO Aware Classification

clomocycline (English)

3 October 2016

1 reference

watch

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2023 ‎AWaRe classification‎

NCI Thesaurus ID

C76236

1 reference

InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1

14 February 2018

Clomocycline

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Identifiers

InChI

1 reference

clomocycline (English)

3 October 2016

2 references

clomocycline (English)

3 October 2016

14 February 2018

3 references

clomocycline (English)

3 October 2016

14 February 2018

https://commonchemistry.cas.org/detail?cas_rn=1181-54-0

9 April 2021

1 reference

Clomocycline (English)

imported from Wikimedia project

3 October 2016

PubChem CID

5464321

1 reference

English Wikipedia

ChEBI ID

59589

mapping relation type

3 references

clomocycline (English)

3 October 2016

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1

1 reference

CLOMOCYCLINE (English)

3 October 2016

DSSTox substance ID

DTXSID80905089

1 reference

DSSTOX compound identifier

0 references

1 reference

Clomocycline (English)

17 November 2015

1 reference

14 February 2018

1 reference

Human Metabolome Database ID

HMDB0014596

2 references

based on heuristic

inferred from InChIKey

UNII

YP0241BU76

2 references

UNII

YP0241BU76

14 February 2018

0 references

1 reference