CI-680, (E)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H28N2O4.C6H8O7
Molecular Weight	624.635
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=STAHNFFHFRNPMD-BTKVJIOYSA-N

InChI=1S/C26H28N2O4.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-17H,7,18-19H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H28N2O4
Molecular Weight	432.5115
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	BKF1G6X9LO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CI-680, (E)-

Common Name

English

.ALPHA.-(P-(3-(DIMETHYLAMINO)PROPOXY)PHENYL)-.ALPHA.'-NITRO-4-METHOXYSTILBENE MONOCITRATES, (E)-

Systematic Name

English

PROPYLAMINE, 3-(PROPYLAMINE, 3-(P-(.ALPHA.-(P-METHOXYPHENYL)-.BETA.-NITROSTYRYL)PHENOXY)-N,N-DIMETHYL-, CITRATE (1:1), (E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BKF1G6X9LO

Created by admin on Sat Dec 16 15:42:34 GMT 2023 , Edited by admin on Sat Dec 16 15:42:34 GMT 2023

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PUBCHEM

22472168

Created by admin on Sat Dec 16 15:42:34 GMT 2023 , Edited by admin on Sat Dec 16 15:42:34 GMT 2023

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CAS

24136-30-9

Created by admin on Sat Dec 16 15:42:34 GMT 2023 , Edited by admin on Sat Dec 16 15:42:34 GMT 2023

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