PENTETIC ACID

Search structure
Synonyms:
Status: Approved (2004)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7A314HQM0I

Structure
InChI Key QPCDCPDFJACHGM-UHFFFAOYSA-N
Smile O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H23N3O10
Molecular Weight 393.35
AlogP -2.68
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 16.0
Polar Surface Area 196.22
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials

Cross References

Resources Reference
ChEBI 35739
ChEMBL CHEMBL780
DrugBank DB14007
DrugCentral 2092
EPA CompTox DTXSID2023434
FDA SRS 7A314HQM0I
PubChem 3053
SureChEMBL SCHEMBL17138
ZINC ZINC000019419017
CONTENTS