skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzodiazepine > (2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

(2r,3r,4r,5s)-6-[2-(/{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl/}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31ClFN3O8

inchi

  • InChI=1S/C27H31ClFN3O8/c1-2-31(11-12-39-27-24(36)22(34)23(35)25(40-27)26(37)38)9-10-32-19-8-7-15(28)13-17(19)21(30-14-20(32)33)16-5-3-4-6-18(16)29/h3-8,13,22-25,27,34-36H,2,9-12,14H2,1H3,(H,37,38)/t22-,23-,24+,25-,27?/m0/s1

inchikey

  • JLTAVYMIPYIVSP-XOEMIVIESA-N

mass

  • 580.003

monoisotopicmass

  • 579.178

smiles

  • ClC1=CC=2C(=NCC(N(C2C=C1)CCN(CCOC3O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]3O)O)CC)=O)C4=C(F)C=CC=C4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143438

Download this concept:

RDF/XML TURTLE JSON-LD