LEVOLEUCOVORIN CALCIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 778XL6VBS8
Parent Compound: LEVOLEUCOVORIN

Structure
InChI Key KVUAALJSMIVURS-QNTKWALQSA-L
Smile Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]
InChI
InChI=1S/C20H23N7O7.Ca/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);/q;+2/p-2/t12-,13-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21CaN7O7
Molecular Weight 511.51
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
Carcinoma 3 D002277 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
26.51
Gastrointestinal disorders
11.11
Vascular disorders
7.99
Blood and lymphatic system disorders
7.6
Nervous system disorders
7.21
Investigations
5.65
Injury, poisoning and procedural complications
5.07
Renal and urinary disorders
4.68
Reproductive system and breast disorders
4.68
Metabolism and nutrition disorders
4.48
Infections and infestations
3.51
Respiratory, thoracic and mediastinal disorders
3.51
Cardiac disorders
2.34

Cross References

Resources Reference
ChEMBL CHEMBL1908361
EPA CompTox DTXSID3045564
FDA SRS 778XL6VBS8
PubChem 101641675
SureChEMBL SCHEMBL467144
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