(Q15269693)

Saroglitazar (English)

14 October 2016

chemical formula

C₂₅H₂₉NO₄S

1 reference

Saroglitazar (English)

14 October 2016

canonical SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)O

1 reference

Saroglitazar (English)

14 October 2016

isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)O

1 reference

Saroglitazar (English)

InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1

14 October 2016

Commons category

Saroglitazar

0 references

Identifiers

InChI

1 reference

Saroglitazar (English)

14 October 2016

2 references

Saroglitazar (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

495399-09-2

2 references

Global Substance Registration System

UNII

E0YMX3S4JD

saroglitazar (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=495399-09-2

9 April 2021

1 reference

Saroglitazar (English)

14 October 2016

2 references

Saroglitazar (English)

14 October 2016

ChEBI ID

134708

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID20120310

0 references

DrugBank ID

13115

1 reference

DB13115

1 reference

UNII

E0YMX3S4JD

2 references

Global Substance Registration System

UNII

E0YMX3S4JD

saroglitazar (English)

14 October 2016