HYDROCORTAMATE

Search structure
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y3N00BK5WK

Structure
InChI Key FWFVLWGEFDIZMJ-FOMYWIRZSA-N
Smile CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H41NO6
Molecular Weight 475.63
AlogP 2.67
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 104.14
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 50851
ChEMBL CHEMBL1201263
DrugBank DB00769
DrugCentral 1387
EPA CompTox DTXSID1057824
FDA SRS Y3N00BK5WK
Human Metabolome Database HMDB0014907
PubChem 84088
SureChEMBL SCHEMBL24237
ZINC ZINC000004213506
CONTENTS