Cas no 21448-81-7 (Brn 0584815)
Brn 0584815 structure
Product Name:Brn 0584815
CAS No:21448-81-7
MF:C17H22N4O5
MW:362.380383968353
CID:911809
PubChem ID:129009785
Update Time:2025-04-19
Brn 0584815 Chemical and Physical Properties
Names and Identifiers
-
- Brn 0584815
- 8-carbamoyloxymethyl-6-ethylamino-8a-hydroxy-1,5-dimethyl-1,1a,2,8,8a,8b-hexahydro-azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
- [6-(ethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
- 7-Aethylamino-9a-hydroxy-1a-methyl-mitosan
- AC1L2NYC
- AC1Q6AFA
- AR-1A9156
- BL-6355
- KST-1A2776
- NSC325313
- [6-(Ethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
- 21448-81-7
- DTXSID50944041
- NSC-325313
-
- Inchi： 1S/C17H22N4O5/c1-4-19-11-7(2)13(22)12-10(14(11)23)8(6-26-16(18)24)17(25)15-9(20(15)3)5-21(12)17/h8-9,15,19,25H,4-6H2,1-3H3,(H2,18,24)/t8-,9+,15+,17-,20?/m1/s1
- InChI Key： NRQVSGHYSATPKZ-SCHVZWQHSA-N
- SMILES： O[C@@]12[C@H](COC(N)=O)C3C(C(=C(C)C(C=3N1C[C@H]1[C@@H]2N1C)=O)NCC)=O
Computed Properties
- Exact Mass: 362.15916
- Monoisotopic Mass: 362.159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 803
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 125A^2
- XLogP3: 0.1
Experimental Properties
- Density: 1.5
- Boiling Point: 608.9°C at 760 mmHg
- Flash Point: 322.1°C
- Refractive Index: 1.673
- PSA: 124.97
- LogP: -0.34530
Brn 0584815 Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolequinones Mitomycins, mitosane and mitosene derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Mitomycins, mitosane and mitosene derivatives
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