Basic information
- CAS
16810-17-6- Standard SMILES
O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(N(CCCl)CCCl)cc1.[Br-]- InChIKey
NPZCJJUTUDMOHU-UHFFFAOYSA-M- Molecular formula
- C18H26BrCl2N5O
- Average molar mass
- 479.2 g/mol
- Monoisotopic mass
- 477.06978
Overview
RN given refers to bromide
Names & identifiers
- Preferred name
- AT 584
- IUPAC
- 1-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
- English name
- AT-584
- Molecular formula
- C18H26BrCl2N5O
- Molecular weight
- 479.24
Names & synonyms
AT 58416810-17-6AT-5843,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(2-(4-(bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-, bromideRefChem:115390p-bis(2-chloroethyl)amino-omega-bromoacetophenone hexamethylenetetramine1-(p-(Bis(2-chloroethyl)amino)phenacyl)-3,5,7-triaza-1-azoniaadamantane bromide1-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;bromideHexamethylenetetramine salt of p-(bis(2-chloroethyl)amino)-alpha-bromoacetophenone1-(2-(4-(Bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1(sup 3,7))decane bromideorb1698302DTXSID10937439
Show more names
AKOS0407506133,5,7-Triaza-1-azoniaadamantane, 1-(p-(bis(2-chloroethyl)amino)phenacyl)-, bromide3,5,7-Triaza-1-azoniatricyclo(3.3.1.1(sup 3,7))decane, 1-(2-(4-(bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-, bromideT301841-(2-{4-[Bis(2-chloroethyl)amino]phenyl}-2-oxoethyl)-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide3,5,7-Triaza-1-azoniatricyclo(3.3.1.1(3,7))decane, 1-(2-(4-(bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-, bromide
Properties
Computed structural properties
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Chemistry & industry
Applications
DescriptionAT-584 is a bio-active chemical.
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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