(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(1H-pyrazole-3-ylamino)azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione (CAS 84397-45-5) — formula C18H20N6O5, molecular weight 400.4; category organic chemicals.
| CAS Number | 84397-45-5 |
|---|---|
| Molecular Formula | C18H20N6O5 |
| Molecular Weight | 400.4 |
| LogP | -0.6 |
| Category | Organic Chemicals |
(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(1H-pyrazole-3-ylamino)azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione is a carbon-based organic compound with CAS registry number 84397-45-5 and molecular formula C18H20N6O5 (molecular weight 400.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84397-45-5
Its molecular formula C18H20N6O5 comprises 18 C, 20 H, 6 N, 5 O atoms.
Also known as: (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(1H-pyrazole-3-ylamino)azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione · (1aS,8S,8aR,8bS)-8-[[(氨基羰基)氧基]甲基]-1,1a,2,8,8a,8b-六氢-8a-甲氧基-5-甲基-6-(1H-吡唑-3-基氨基)氮丙啶基[2',3':3,4]吡咯并[1,2-a]吲哚-4,7-二酮
Category: organic chemicals
The CAS registry number of (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(1H-pyrazole-3-ylamino)azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione is 84397-45-5.
Molecular formula C18H20N6O5, molecular weight 400.4.
It is also registered under: (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(1H-pyrazole-3-ylamino)azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, (1aS,8S,8aR,8bS)-8-[[(氨基羰基)氧基]甲基]-1,1a,2,8,8a,8b-六氢-8a-甲氧基-5-甲基-6-(1H-吡唑-3-基氨基)氮丙啶基[2',3':3,4]吡咯并[1,2-a]吲哚-4,7-二酮.
Category: Organic Chemicals.
Independent reference data for (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(1H-pyrazole-3-ylamino)azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione (CAS 84397-45-5), compiled from public chemistry databases.
| CAS 号 | 84397-45-5 |
|---|---|
| PubChem CID | 135596577 |
| 分子式 | C18H20N6O5 |
| IUPAC 名称 | [(4S,6S,7R,8S)-11-(1,4-dihydropyrazol-5-ylideneamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate |
| Molecular Weight | 400.4 |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 400.14951776 |
| Monoisotopic Mass | 400.14951776 |
| Topological Polar Surface Area | 158 |
| Heavy Atom Count | 29 |
84397-45-5; N6-1H-Pyrazol-3-ylmitomycin C; DTXSID601004671; N(6)-1H-Pyrazol-3-ylmitomycin C
(1aS,8S,8aR,8bS)-8-[[(氨基羰基)氧基]甲基]-1,1a,2,8,8a,8b-六氢-8a-甲氧基-5-甲基-6-(1H-吡唑-3-基氨基)氮丙啶基[2',3':3,4]吡咯并[1,2-a]吲哚-4,7-二酮 · CAS 84397-45-5 · C18H20N6O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.