(Q5210829)

DrugBank

17 November 2015

Dalfopristin.png
778 × 662; 15 KB

0 references

mass

690.33 dalton

1 reference

DALFOPRISTIN (English)

18 November 2016

chemical formula

C₃₄H₅₀N₄O₉S

1 reference

DALFOPRISTIN (English)

18 November 2016

canonical SMILES

CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(CC(=O)CC3=NC(=CO3)C2=O)O)C)C)C(C)C

1 reference

DALFOPRISTIN (English)

18 November 2016

isomeric SMILES

CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C

1 reference

DALFOPRISTIN (English)

protein synthesis inhibitor

18 November 2016

subject has role

1 reference

5 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

C113826

InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1

15 March 2018

Identifiers

InChI

1 reference

DALFOPRISTIN (English)

18 November 2016

2 references

DALFOPRISTIN (English)

SUYRLXYYZQTJHF-RJUFQJKESA-N

18 November 2016

PDB ligand ID

DOL

reason for deprecated rank

cannot be confirmed by other sources

1 reference

ChEBI release 2020-09-01

CAS Registry Number

112362-50-2

2 references

dalfopristin (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=112362-50-2

10 April 2021

1 reference

Dalfopristin (English)

18 November 2016

2 references

DALFOPRISTIN (English)

18 November 2016

ChEBI ID

4309

mapping relation type

exact match

3 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1

1 reference

DALFOPRISTIN (English)

18 November 2016

2 references

inferred from InChIKey

Hazardous Substances Data Bank

1 reference

1 reference

28 October 2019

Dalfopristin (English)

10 May 2021

DSSTox substance ID

DTXSID10869549

1 reference

DSSTOX compound identifier

DTXCID30820718

0 references

Guide to Pharmacology Ligand ID

10797

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

Medical Subject Headings

14 March 2018

1 reference

dalfopristin (English)

18 November 2016

DrugBank ID

DB01764

1 reference

Human Metabolome Database ID

HMDB0015566

reason for deprecated rank

cannot be confirmed by other sources

0 references

2 references

dalfopristin (English)

18 November 2016

NDF-RT ID

N0000148630

1 reference

dalfopristin (English)

18 November 2016

0 references

1 reference

https://docs.openalex.org/download-snapshot/snapshot-data-format

Dalfopristin (English)

19 January 2016

0 references

1 reference

6 April 2020

0 references

Microsoft Academic ID

0 references

1 reference

26 January 2022

1 reference

2Z2P (English)

19 October 2016

1 reference

4U26 (English)

19 October 2016

1 reference

4U24 (English)

19 October 2016

1 reference

1SM1 (English)

19 October 2016

1 reference

1MRL (English)

19 October 2016

1 reference

dalfopristin (English)

inferred by common MeSH mappings on source and on Wikidata

18 November 2016

C0756084

1 reference

based on heuristic

UMLS 2023