misoprostol (free acid form) (Q27086526)

Misoprostol acid (English)

3 October 2016

chemical formula

C₂₁H₃₆O₅

1 reference

Misoprostol acid (English)

3 October 2016

canonical SMILES

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O

1 reference

Misoprostol acid (English)

3 October 2016

isomeric SMILES

CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O

1 reference

Misoprostol acid (English)

InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1

3 October 2016

Identifiers

InChI

1 reference

Misoprostol acid (English)

3 October 2016

1 reference

Misoprostol acid (English)

3 October 2016

1 reference

(11alpha,13E)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid (English)

3 October 2016

2 references

Misoprostol acid (English)

matched by identifier from

3 October 2016

1 reference

matched by identifier from

MISOPROSTOLIC ACID (English)

3 October 2016

1 reference

1 reference

Guide to Pharmacology Ligand ID

1935

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1935

misoprostol (free acid form) (English)

matched by identifier from

3 October 2016

UNII

12Z0SU967A

1 reference