General Information of Drug (ID: DMLB7GT)

Drug Name
Proglumetacin
Synonyms
Protacine; Afloxan; Proglumetacina [Spanish]; EINECS 261-656-3; CR-604; AC1O5NKY; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2-(4-(3-((4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl)-1-piperazinyl)ethyl ester (+-)-, (Z)-2-butenedioate (1:2); 3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
Indication
Disease Entry ICD 11 Status REF
Osteoarthritis FA00-FA05 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C46H58ClN5O8
Canonical SMILES
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5
InChI
1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)
InChIKey
PTXGHCGBYMQQIG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4921
ChEBI ID
CHEBI:76263
CAS Number
57132-53-3
TTD ID
D0BD0Q

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015