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Details

Stereochemistry ACHIRAL
Molecular Formula C26H28N2O4
Molecular Weight 432.5115
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CI-680 FREE BASE, (E)-

SMILES

COC1=CC=C(C=C1)C(=C(\C2=CC=CC=C2)[N+]([O-])=O)\C3=CC=C(OCCCN(C)C)C=C3

InChI

InChIKey=UTWORILPVUAIGD-OCEACIFDSA-N
InChI=1S/C26H28N2O4/c1-27(2)18-7-19-32-24-16-12-21(13-17-24)25(20-10-14-23(31-3)15-11-20)26(28(29)30)22-8-5-4-6-9-22/h4-6,8-17H,7,18-19H2,1-3H3/b26-25+

HIDE SMILES / InChI

Molecular Formula C26H29N2O4
Molecular Weight 433.5195
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:42:34 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:34 GMT 2023
Record UNII
YUA253E1UL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-680 FREE BASE, (E)-
Common Name English
.ALPHA.-(P-(3-(DIMETHYLAMINO)PROPOXY)PHENYL)-.ALPHA.'-NITRO-4-METHOXYSTILBENE, (E)-
Systematic Name English
PROPYLAMINE, 3-(P-(.ALPHA.-(P-METHOXYPHENYL)-.BETA.-NITROSTYRYL)PHENOXY)-N,N-DIMETHYL-, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6337210
Created by admin on Sat Dec 16 15:42:34 GMT 2023 , Edited by admin on Sat Dec 16 15:42:34 GMT 2023
PRIMARY
CAS
24136-28-5
Created by admin on Sat Dec 16 15:42:34 GMT 2023 , Edited by admin on Sat Dec 16 15:42:34 GMT 2023
PRIMARY
FDA UNII
YUA253E1UL
Created by admin on Sat Dec 16 15:42:34 GMT 2023 , Edited by admin on Sat Dec 16 15:42:34 GMT 2023
PRIMARY