RO-61-1448

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19NO11
Molecular Weight	449.365
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C(=C2)[N+]([O-])=O

InChI

InChIKey=QQQCXCUCFPMHBX-HBWRTXEVSA-N

InChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(22)10-6-11(21(29)30)14(23)12(7-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h2-7,15-18,20,23-26H,1H3,(H,27,28)/t15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H19NO11
Molecular Weight	449.365
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:43:35 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:35 GMT 2025`
Record UNII	49RTJ747IG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO 61-1448

Preferred Name

English

RO-61-1448

Common Name

English

TOLCAPONE-3-O-.BETA.,D-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-5-(4-METHYLBENZOYL)-3-NITROPHENYL

Systematic Name

English

Code System Code Type Description

FDA UNII

49RTJ747IG

Created by admin on Mon Mar 31 22:43:35 GMT 2025 , Edited by admin on Mon Mar 31 22:43:35 GMT 2025

PRIMARY

CAS

204853-33-8

Created by admin on Mon Mar 31 22:43:35 GMT 2025 , Edited by admin on Mon Mar 31 22:43:35 GMT 2025

PRIMARY

PUBCHEM

29987498

Created by admin on Mon Mar 31 22:43:35 GMT 2025 , Edited by admin on Mon Mar 31 22:43:35 GMT 2025

PRIMARY

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