rhodamine123 (Q27088547)

[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium (English)

3 October 2016

chemical formula

C₂₁H₁₇N₂O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N

1 reference

[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium (English)

InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1

3 October 2016

Identifiers

InChI

1 reference

[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium (English)

FCGVBHISQBBIQF-UHFFFAOYSA-O

3 October 2016

InChIKey

2 references

[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium (English)

3 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-Amino-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-iminium (English)

3 October 2016

1 reference

[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium (English)

3 October 2016

ChEBI ID

52894

mapping relation type

1 reference

Guide to Pharmacology Ligand ID

rhodamine 123(1+) (English)

3 October 2016

1 reference

4607

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

4607

rhodamine123 (English)