ipragliflozin (Q17193526)

Ipragliflozin (English)

14 October 2016

chemical formula

C₂₁H₂₁FO₅S

1 reference

Ipragliflozin (English)

14 October 2016

canonical SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F

1 reference

Ipragliflozin (English)

14 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)F

1 reference

InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1

Ipragliflozin (English)

14 October 2016

0 references

Ipragliflozin

0 references

Identifiers

InChI

1 reference

Ipragliflozin (English)

14 October 2016

2 references

Ipragliflozin (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

761423-87-4

2 references

Global Substance Registration System

UNII

3N2N8OOR7X

ipragliflozin (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=761423-87-4

9 April 2021

1 reference

Ipragliflozin (English)

14 October 2016

2 references

Ipragliflozin (English)

14 October 2016

ChEBI ID

134724

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1

1 reference

CHEMBL2018096 (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

Guide to Pharmacology Ligand ID

ATC code

A10BK05

0 references

9394

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB11698

1 reference

UNII

3N2N8OOR7X

2 references

Global Substance Registration System

UNII

3N2N8OOR7X

ipragliflozin (English)

14 October 2016