8-{[2-(diethylamino)ethyl]amino}-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl 4-methylbenzene-1-sulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H30N2O6S
Molecular Weight	510.602
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-{[2-(diethylamino)ethyl]amino}-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl 4-methylbenzene-1-sulfonate

Structure Search

SMILES

CCN(CC)CCNC1=CC=C(CO)C2=C1C(=O)C3=C(O2)C=CC(OS(=O)(=O)C4=CC=C(C)C=C4)=C3

InChI

InChIKey=QFLKRNMJXQIZEE-UHFFFAOYSA-N

InChI=1S/C27H30N2O6S/c1-4-29(5-2)15-14-28-23-12-8-19(17-30)27-25(23)26(31)22-16-20(9-13-24(22)34-27)35-36(32,33)21-10-6-18(3)7-11-21/h6-13,16,28,30H,4-5,14-15,17H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C27H30N2O6S
Molecular Weight	510.602
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:05:17 GMT 2023` Edited by `admin` on `Sat Dec 16 13:05:17 GMT 2023`
Record UNII	ER87UK6YVX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-{[2-(diethylamino)ethyl]amino}-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl 4-methylbenzene-1-sulfonate

Systematic Name

English

NSC-355187

Code

English

1-[[2-(Diethylamino)ethyl]amino]-4-(hydroxymethyl)-7-[[(4-methylphenyl)sulfonyl]oxy]-9H-xanthen-9-one

Systematic Name

English

9H-XANTHEN-9-ONE, 1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-(HYDROXYMETHYL)-7-(((4-METHYLPHENYL)SULFONYL)OXY)-

Systematic Name

English

Code System Code Type Description

CAS

86456-21-5