Antineoplastic-332892
Basic information
- CAS
84365-02-6- Standard SMILES
C[As](C)SCC1OC(n2ncc(=O)[nH]c2=O)C2OC(C)(C)OC12- InChIKey
MZDPRXRLLGLMRR-UHFFFAOYSA-N- Molecular formula
- C13H20AsN3O5S
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 405.033961
Names & identifiers
- Preferred name
- Antineoplastic-332892
- IUPAC
- 2-[6-(dimethylarsanylsulfanylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazine-3,5-dione
Names & synonyms
NSC33289284365-02-6ANTINEOPLASTIC-332892DTXSID50318602NSC-3328922-[5-S-(Dimethylarsanyl)-2,3-O-(1-methylethylidene)-5-thiopentofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
84365-02-6- PubChem CID
- 333083
- DTXSID
DTXSID50318602
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 544
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Related reactions
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Compound notes
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