U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C25H30ClNO6
Molecular Weight 475.962
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VULM-993

SMILES

CCOC(=O)C1=C(C)NC(C)=C(C1C2=CC(Cl)=CC=C2)C(=O)OCC3COC4(CCCC4)O3

InChI

InChIKey=GDMNURLVWVGYHR-UHFFFAOYSA-N
InChI=1S/C25H30ClNO6/c1-4-30-23(28)20-15(2)27-16(3)21(22(20)17-8-7-9-18(26)12-17)24(29)31-13-19-14-32-25(33-19)10-5-6-11-25/h7-9,12,19,22,27H,4-6,10-11,13-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C25H30ClNO6
Molecular Weight 475.962
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:02:08 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:08 GMT 2023
Record UNII
7IH970ATD2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VULM-993
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(3-CHLOROPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-, 1,4-DIOXASPIRO(4.4)NON-2-YLMETHYL ETHYL ESTER
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(3-CHLOROPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-, 3-(1,4-DIOXASPIRO(4.4)NON-2-YLMETHYL) 5-ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
7IH970ATD2
Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023
PRIMARY
CAS
155506-70-0
Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023
PRIMARY
PUBCHEM
154682
Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID60935223
Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023
PRIMARY