SC 10049

HCID 201291

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Basic information

CAS: 5781-48-6
Standard SMILES: CC(Cc1c[nH]c2ccccc12)NCC(O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey: WEJMISTYYYNEDL-LREBCSMRSA-N
Molecular formula: C23H28N2O9
Average molar mass: 476.5 g/mol
Monoisotopic mass: 476.17948047

Names & identifiers

Preferred name: SC 10049
IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;4-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]benzene-1,2-diol

Names & synonyms

SC 10049levo-3-(2-(2-Hydroxy-2-(3,4-dihydroxyphenyl)ethylamino)propyl)indole tartrate5781-48-61,2-Benzenediol, 4-(1-hydroxy-2-((2-(1H-indol-3-yl)-1-methylethyl)amino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (salt)RefChem:380004DTXSID90973395(2R,3R)-2,3-Dihydroxybutanedioic acid--4-(1-hydroxy-2-{[1-(1H-indol-3-yl)propan-2-yl]amino}ethyl)benzene-1,2-diol (1/1)2,3-Dihydroxybutanedioic acid--4-(1-hydroxy-2-{[1-(1H-indol-3-yl)propan-2-yl]amino}ethyl)benzene-1,2-diol (1/1)

Database identifiers

CAS: 5781-48-6
PubChem CID: 201291
DTXSID: DTXSID90973395

Properties

Computed structural properties

Topological polar surface area: 204 Å²
Hydrogen bond donors: 9
Hydrogen bond acceptors: 10
Rotatable bonds: 9
Heavy atoms: 34
Formal charge: 0
Complexity: 529

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