skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > maleate salt > proglumetacin dimaleate

Preferred term

proglumetacin dimaleate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C46H58ClN5O8.2C4H4O4
  • C54H66ClN5O16

has_part

has_role

inchi

  • InChI=1S/C46H58ClN5O8.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

inchikey

  • MKFWBVKQDGNXDW-SPIKMXEPSA-N

mass

  • 1076.57900

monoisotopicmass

  • 1075.41931

smiles

  • OC(=O)/C=C/C(O)=O.OC(=O)/C=C/C(O)=O.CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 3-[4-(2-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}ethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate di[(2Z)-but-2-enedioate]

synonym RELATED

  • Miridacin
  • Proglumetacin maleate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32057

Download this concept:

RDF/XML TURTLE JSON-LD