N-[2-(Diethylamino)ethyl]-N-methyl-N'-(1-methylethyl)-N'-[2-(phenylsulfonyl)ethyl]urea citrate hydrate

HCID 70419038
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Basic information

Standard SMILES
CCN(CC)CCN(C)C(=O)N(CCS(=O)(=O)c1ccccc1)C(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
AWRDHZZGAFFRKM-UHFFFAOYSA-N
Molecular formula
C25H43N3O11S
Average molar mass
593.7 g/mol

Names & identifiers

Preferred name
N-[2-(Diethylamino)ethyl]-N-methyl-N'-(1-methylethyl)-N'-[2-(phenylsulfonyl)ethyl]urea citrate hydrate
IUPAC
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-3-methyl-1-propan-2-ylurea;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

Names & synonyms

SCHEMBL10684588AWRDHZZGAFFRKM-UHFFFAOYSA-NN-[2-(Diethylamino)ethyl]-N-methyl-N'-(1-methylethyl)-N'-[2-(phenylsulfonyl)ethyl]urea citrate hydrate

Database identifiers

PubChem CID
70419038

Properties

Computed structural properties

Topological polar surface area
202 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
12
Rotatable bonds
15
Heavy atoms
40

Related reactions

2 records
New reaction record

Linked notes

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