Bufotenine glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24N2O7
Molecular Weight	380.3924
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)CCC1=CNC2=C1C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2

InChI

InChIKey=WWCGYOHFQQBADT-RNGZQALNSA-N

InChI=1S/C18H24N2O7/c1-20(2)6-5-9-8-19-12-4-3-10(7-11(9)12)26-18-15(23)13(21)14(22)16(27-18)17(24)25/h3-4,7-8,13-16,18-19,21-23H,5-6H2,1-2H3,(H,24,25)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H24N2O7
Molecular Weight	380.3924
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 `Sat Dec 16 19:46:03 GMT 2023` Edited by `admin` on `Sat Dec 16 19:46:03 GMT 2023`
Record UNII	KAQ2MR8PPL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bufotenine glucuronide

Common Name

English

Indol-5-ol, 3-[2-(dimethylamino)ethyl]-, 3-β-D-glucopyranuronoside

Systematic Name

English

3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl β-D-glucopyranosiduronic acid

Systematic Name

English

β-D-Glucopyranosiduronic acid, 3-[2-(dimethylamino)ethyl]-1H-indol-5-yl

Systematic Name

English

(2S,3S,4S,5R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylicacid

Systematic Name

English

Glucopyranosiduronic acid, 3-[2-(dimethylamino)ethyl]indol-5-yl, β-D-

Systematic Name

English

Code System Code Type Description

CAS

17598-73-1

Created by admin on Sat Dec 16 19:46:03 GMT 2023 , Edited by admin on Sat Dec 16 19:46:03 GMT 2023

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PUBCHEM

3082119

Created by admin on Sat Dec 16 19:46:03 GMT 2023 , Edited by admin on Sat Dec 16 19:46:03 GMT 2023

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EPA CompTox

DTXSID20170052

Created by admin on Sat Dec 16 19:46:03 GMT 2023 , Edited by admin on Sat Dec 16 19:46:03 GMT 2023

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FDA UNII

KAQ2MR8PPL

Created by admin on Sat Dec 16 19:46:03 GMT 2023 , Edited by admin on Sat Dec 16 19:46:03 GMT 2023

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