Primary Record
BHX2UT24UE
- In stock
- 8,599 g
- Purity
- 98.4 %
- CAS
- 1931963-56-2
Compound Identifiers & Properties
- CAS
- 1931963-56-2
- PubChem CID
- 121358314
- SMILES
- C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=S)NNC(=O)CN(CCN(CC(=O)NNC(=S)N/N=C/C6=CC(=CC=C6)OCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O)CC(=O)O)CC(=O)O)/CO)O)N)O
- Canonical SMILES
- COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=S)NNC(=O)CN(CCN(CC(=O)O)CC(=O)NNC(=S)N/N=C/c1cccc(OCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O)c1)CC(=O)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
Names & Synonyms
- BHX2UT24UE
- UNII-BHX2UT24UE
- Hydroxybisphosphonate linked doxorubicin
- SCHEMBL17777354
- 12B80
- Hydroxybisphosphonate (hbp) bound doxorubicin
- 1931963-56-2
- (13E)-13-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-6-(CARBOXYMETHYL)-15-HYDROXY-3-(2-(2-(((2E)-2-((3-(3-((3-HYDROXY-3,3-DIPHOSPHONOPROPYL)METHYLAMINO)PROPOXY)PHENYL)METHYLENE)HYDRAZINYL)THIOXOMETHYL)HYDRAZINYL)-2-OXOETHYL)-8-OXO-11-THIOXO-3,6,9,10,12,13-HEXAAZAPENTADEC-13-ENOIC ACID
- 3,6,9,10,12,13-HEXAAZAPENTADEC-13-ENOIC ACID, 13-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-6-(CARBOXYMETHYL)-15-HYDROXY-3-(2-(2-(((2E)-2-((3-(3-((3-HYDROXY-3,3-DIPHOSPHONOPROPYL)METHYLAMINO)PROPOXY)PHENYL)METHYLENE)HYDRAZINYL)THIOXOMETHYL)HYDRAZINYL)-2-OXOETHYL)-8-OXO-11-THIOXO-, (13E)-