XYLENOL ORANGE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H32N2O13S
Molecular Weight	672.656
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(O)C(CN(CC(O)=O)CC(O)=O)=CC(=C1)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C4

InChI

InChIKey=ORZHVTYKPFFVMG-UHFFFAOYSA-N

InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)

HIDE SMILES / InChI

Molecular Formula	C31H32N2O13S
Molecular Weight	672.656
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Potent inhibitors of human immunodeficiency virus type 1 integrase: identification of a novel four-point pharmacophore and tetracyclines as novel inhibitors.	1997-12	9415714

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:57:42 GMT 2025` Edited by `admin` on `Mon Mar 31 19:57:42 GMT 2025`
Record UNII	S2VDY878QD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XYLENOL ORANGE

Common Name

English

NSC-324982

Preferred Name

English

O-CRESOLPHTHALEXON S

Common Name

English

GLYCINE, N,N'-(3H-2,1-BENZOXATHIOL-3-YLIDENEBIS((6-HYDROXY-5-METHYL-3,1-PHENYLENE)METHYLENE))BIS(N-(CARBOXYMETHYL)-, S,S-DIOXIDE

Common Name

English

ACETIC ACID, (3H-2,1-BENZOXATHIOL-3-YLIDENEBIS((6-HYDROXY-5-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-, S,S-DIOXIDE

Common Name

English

CRESOL PHTHALEXON S

Common Name

English

XYLENOL ORANGE [MI]

Common Name

English

ACETIC ACID, ((.ALPHA.-HYDROXY-O-SULFOBENZYLIDENE)BIS((6-HYDROXY-5-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-, .GAMMA.-SULTONE

Common Name

English

PHENOLSULFONEPHTHALEIN, 3',3''-BIS((BIS(CARBOXYMETHYL)AMINO)METHYL)-5',5''-DIMETHYL-

Common Name

English

Code System Code Type Description

WIKIPEDIA

XYLENOL ORANGE