ACENEURAMIC ACID

Search structure


Synonyms:	Aceneuramic acid UX001
Status:	Phase 3
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	M09AX05
UNII:	GZP2782OP0

Structure


InChI Key	KBGAYAKRZNYFFG-BOHATCBPSA-N
Smile	CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI	InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H19NO9
Molecular Weight	309.27
AlogP	-4.03
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	9.0
Polar Surface Area	184.62
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	21.0

Cross References

Resources	Reference
ChEBI	173082
ChEMBL	CHEMBL2105945
DrugBank	DB11797
EPA CompTox	DTXSID0050425
FDA SRS	GZP2782OP0
Guide to Pharmacology	4644
PDB	SI3
PubChem	14017587
SureChEMBL	SCHEMBL22411
ZINC	ZINC000004214715

CONTENTS