BETANIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H16N2O8
Molecular Weight	388.3282
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@@H]1CC2=C(C=C(O)C(O)=C2)N1\C=C\C3=CC(=N[C@@H](C3)C(O)=O)C(O)=O

InChI

InChIKey=BBJUSJOGHYQDQX-WODDMCJRSA-N

InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/b2-1+/t11-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H16N2O8
Molecular Weight	388.3282
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:24 GMT 2023` Edited by `admin` on `Sat Dec 16 10:31:24 GMT 2023`
Record UNII	9I2X8A06CQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETANIDIN

Common Name

English

2,6-PYRIDINEDICARBOXYLIC ACID, 4-(2-((2S)-2-CARBOXY-2,3-DIHYDRO-5,6-DIHYDROXY-1H-INDOL-1-YL)ETHENYL)-2,3-DIHYDRO-, (2S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

135449343