LEVOLEUCOVORIN

Search structure
Trade Names:
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 990S25980Y

Structure
InChI Key VVIAGPKUTFNRDU-STQMWFEESA-N
Smile Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N7O7
Molecular Weight 473.45
AlogP -0.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 219.84
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 4 D015179 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 68538-85-2
ChEBI 63606
ChEMBL CHEMBL1908841
DrugBank DB11596
DrugCentral 4384
EPA CompTox DTXSID4023204
FDA SRS 990S25980Y
PDB FFO
PubChem 135398559
SureChEMBL SCHEMBL16946130
ZINC ZINC000009212427
CONTENTS