主记录
Tapotoclax
- CAS
- 1883727-34-1
- PubChem CID
- 118910246
- SMILES
- C[C@H]1C/C=C\[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)OC
- 分子式
- C33H41ClN2O5S
- 分子量
- 613.22
- 精确分子量
- 612.2425
- InChI
- InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4-/t21-,22+,25-,27+,30-,33-/m0/s1
- InChIKey
- JQNINBDKGLWYMU-KYVUIAPPSA-N
- LogP
- 5.8984
- TPSA
- 84.94
名称与别名
- Tapotoclax
- AMG-176
- C33H41ClN2O5S
- CHEMBL6010517
- SCHEMBL17550193
- SCHEMBL30472358
- MFCD31747169
- AT10703
- DA-60982
- 1883727-34-1
- Spiro[5,7-etheno-1H,11H-cyclobut[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-2(3H),1'(2'H)-naphthalen]-8(9H)-one, 6'-chloro-3',4',12,13,16,16a,17,18,18a,19-decahydro-16-methoxy-11,12-dimethyl-, 10,10-dioxide, (1'S,11R,12S,14E,16S,16aR,18aR)-
- (3'R,4S,6'R,7'S,8'Z,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
- (3R,6R,7S,8Z,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one