Basic information
- CAS
119643-82-2- Standard SMILES
NC(=O)c1cc(N2CC2)c(NO)cc1[N+](=O)[O-]- InChIKey
OAALBIMEFVOQBY-UHFFFAOYSA-N- Molecular formula
- C9H10N4O4
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.07020481
Overview
structure given in first source; active form of CB 1954
Names & identifiers
- Preferred name
- 5-(Aziridin-1-yl)-4-hydroxylamino-2-nitrobenzamide
- IUPAC
- 5-(aziridin-1-yl)-4-(hydroxyamino)-2-nitrobenzamide
- English name
- 5-(aziridin-1-yl)-4-hydroxylamino-2-nitrobenzamide
- Molecular formula
- C9H10N4O4
- Molecular weight
- 238.2
Names & synonyms
AHNB119643-82-25-(Aziridin-1-yl)-4-hydroxylamino-2-nitrobenzamideBenzamide, 5-(1-aziridinyl)-4-(hydroxyamino)-2-nitro-DTXSID00152538RefChem:101746DTXCID00750295-(aziridin-1-yl)-4-(hydroxyamino)-2-nitrobenzamide5-(1-Aziridinyl)-4-hydroxyamino-2-nitrobenzamideYW6FGD83ATSCHEMBL4464975-(1-Aziridinyl)-4-(hydroxyamino)-2-nitrobenzamide
Show more names
13C6]-Tretazicar metabolite
Database identifiers
- CAS
119643-82-2- PubChem CID
- 5487972
- DTXSID
DTXSID00152538- UNII
- YW6FGD83AT
- Nikkaji
- J396.651H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- FDA UNII
- 6 FGD83AT · YW6FGD83AT
Chemistry & industry
Suppliers1 total
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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