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

Details

Stereochemistry RACEMIC
Molecular Formula C16H16N2O2
Molecular Weight 268.3104
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUGULOVASINE B

SMILES

CN[C@@H]1CC2=CNC3=C2C(=CC=C3)[C@@]14OC(=O)C(C)=C4

InChI

InChIKey=QTWQJTORJVFWAQ-CZUORRHYSA-N
InChI=1S/C16H16N2O2/c1-9-7-16(20-15(9)19)11-4-3-5-12-14(11)10(8-18-12)6-13(16)17-2/h3-5,7-8,13,17-18H,6H2,1-2H3/t13-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N2O2
Molecular Weight 268.3104
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:58:55 GMT 2023
Edited
by admin
on Sat Dec 16 16:58:55 GMT 2023
Record UNII
0E5879R1WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUGULOVASINE B
MI  
Common Name English
RUGULOVASINE B [MI]
Common Name English
SPIRO(BENZ(CD)INDOLE-5(1H),2'(5'H)-FURAN)-5'-ONE, 3,4-DIHYDRO-4'-METHYL-4-(METHYLAMINO)-, TRANS-
Common Name English
SPIRO(BENZ(CD)INDOLE-5(1H),2'(5'H)-FURAN)-5'-ONE, 3,4-DIHYDRO-4'-METHYL-4-(METHYLAMINO)-, (2'R,4R)-REL-
Common Name English
SPIRO(BENZ(CD)INDOLE-5(1H),2'(5'H)-FURAN)-5'-ONE, 3,4-DIHYDRO-4'-METHYL-4-(METHYLAMINO)-, TRANS-(±)-
Common Name English
Code System Code Type Description
FDA UNII
0E5879R1WV
Created by admin on Sat Dec 16 16:58:55 GMT 2023 , Edited by admin on Sat Dec 16 16:58:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID901046325
Created by admin on Sat Dec 16 16:58:55 GMT 2023 , Edited by admin on Sat Dec 16 16:58:55 GMT 2023
PRIMARY
MERCK INDEX
m9698
Created by admin on Sat Dec 16 16:58:55 GMT 2023 , Edited by admin on Sat Dec 16 16:58:55 GMT 2023
PRIMARY Merck Index
CAS
26909-34-2
Created by admin on Sat Dec 16 16:58:55 GMT 2023 , Edited by admin on Sat Dec 16 16:58:55 GMT 2023
PRIMARY
PUBCHEM
119088
Created by admin on Sat Dec 16 16:58:55 GMT 2023 , Edited by admin on Sat Dec 16 16:58:55 GMT 2023
PRIMARY