Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Discorhabdine A
RN: 112515-41-0
InChIKey: IMRWMDAHKYBDMQ-DDBGAENHSA-N

Molecular Formula

  • C18-H14-Br-N3-O2-S

Molecular Weight

  • 416.2976
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Discorhabdine A

Synonyms

  • (8S-(8alpha,9abeta,13aalpha))-12-Bromo-3,5,7,8,9a,10-hexahydro-11H-8,13a-methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2H)-dione
  • 12-Bromo-3,5,7,8,9a,10-hexahydro-11H-8,13a-methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2H)-dione (8S-(8alpha,9abeta,13aalpha))-
  • Discorhabdine A

Systematic Name

  • 11H-8,13a-Methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2H)-dione, 12-bromo-3,5,7,8,9a,10-hexahydro-, (8S-(8alpha,9abeta,13aalpha))-

Registry Numbers

CAS Registry Number

  • 112515-41-0

System Generated Number

  • 0112515410

Structure Descriptors

InChI

1S/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11+,18+/m1/s1

InChIKey

IMRWMDAHKYBDMQ-DDBGAENHSA-N

Smiles

c1c2c3c([nH]1)C(=O)C4=C(C3=NCC2)[C@@]56C[C@@H](N4)S[C@@H]5CC(=O)C(=C6)Br