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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4
Molecular Weight 168.1467
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORCANTHARIDIN

SMILES

[H][C@@]12[C@H]3CC[C@H](O3)[C@]1([H])C(=O)OC2=O

InChI

InChIKey=JAABVEXCGCXWRR-FBXFSONDSA-N
InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4+,5-,6+

HIDE SMILES / InChI

Molecular Formula C8H8O4
Molecular Weight 168.1467
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:49 GMT 2023
Record UNII
8452E71EO7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORCANTHARIDIN
Common Name English
NSC-59023
Code English
ISOCANTHARIDIN
Common Name English
Norcantharidin [WHO-DD]
Common Name English
NORCANTHARIDIN, (±)-
Common Name English
4,7-EPOXYISOBENZOFURAN-1,3-DIONE, HEXAHYDRO-, (3AR,4S,7R,7AS)-REL-
Systematic Name English
DEMETHYLCANTHARIDIN
Common Name English
NSC-14003
Code English
4,7-EPOXYISOBENZOFURAN-1,3-DIONE, HEXAHYDRO-, (3A.ALPHA.,4.BETA.,7.BETA.,7A.ALPHA.)-
Systematic Name English
REL-(3AR,4S,7R,7AS)-HEXAHYDRO-4,7-EPOXYISOBENZOFURAN-1,3-DIONE
Systematic Name English
7-OXABICYCLO(2.2.1)HEPTANE-EXO-CIS-2,3-DICARBOXYLIC ANHYDRIDE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Norcantharidin
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
CAS
5442-12-6
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
SMS_ID
300000005509
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID30884158
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
NSC
59023
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
PUBCHEM
9877482
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
CAS
29745-04-8
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
NSC
14003
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY
FDA UNII
8452E71EO7
Created by admin on Sat Dec 16 08:57:49 GMT 2023 , Edited by admin on Sat Dec 16 08:57:49 GMT 2023
PRIMARY