17-Dmag

• Catalog Number: ACM467214217
• Product Name: 17-Dmag
• CAS: 467214-21-7
• Category: Heterocyclic Organic Compound
• Synonyms: 17-DIMETHYLAMINOETHYLAMINO-17-DEMETHOXY-GELDANAMYCIN;17-DIMETHYLAMINOGELDANAMYCIN;Alvespimycin hydrochloride;BMS 826476;KOS 1022;AlvespiMycin hydrochloride(17-DMAG,BMS 826476;17-DMAG HCl (AlvespiMycin);17-DMAG (AlvespiMycin) HCl
• Molecular Weight: 616.75
• Molecular Formula: C₃₂H₄₈N₄O₈

Custom Q&A

What is the PubChem CID for alvespimycin?

PubChem CID 5288674.

What is the molecular formula of alvespimycin?

The molecular formula is C32H48N4O8.

What are some synonyms for alvespimycin?

Some synonyms for alvespimycin include 17-DMAG and DMAG.

What is the molecular weight of alvespimycin?

The molecular weight is 616.7 g/mol.

When was alvespimycin created and modified in PubChem?

It was created on November 29, 2005, and last modified on December 30, 2023.

What is the IUPAC name of alvespimycin?

The IUPAC name is [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate.

What is the InChI of alvespimycin?

The InChI is InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1.

What is the InChIKey of alvespimycin?

The InChIKey is KUFRQPKVAWMTJO-LMZWQJSESA-N.

What is the canonical SMILES of alvespimycin?

The canonical SMILES is CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC.

What are some other identifiers for alvespimycin?

Some other identifiers include CAS 467214-20-6, UNII 001L2FE0M3, ChEMBL ID CHEMBL383824, DSSTox Substance ID DTXSID00963646, NCI Thesaurus Code C38142, Pharos Ligand ID 8A2P6WKTAK4Z, Wikidata Q4552287, and Wikipedia 17-Dimethylaminoethylamino-17-demethoxygeldanamycin.