SULFORHODAMINE 101

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H29N2O7S2.H
Molecular Weight	606.709
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[O-]S(=O)(=O)C1=CC(=C(C=C1)C2=C3C=C4CCC[N+]5=C4C(CCC5)=C3OC6=C2C=C7CCCN8CCCC6=C78)S([O-])(=O)=O

InChI

InChIKey=COIVODZMVVUETJ-UHFFFAOYSA-N

InChI=1S/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)

HIDE SMILES / InChI

Molecular Formula	C31H29N2O7S2
Molecular Weight	605.701
Charge	-1
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Calcium 10 Target ID: CHEMBL2364030 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15782150	Binding Agent 1064

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:41:47 GMT 2023` Edited by `admin` on `Fri Dec 15 19:41:47 GMT 2023`
Record UNII	FX0ES3271V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFORHODAMINE 101

Common Name

English

LC-6600

Code

English

1H,5H,11H,15H-XANTHENO(2,3,4-IJ:5,6,7-I'J')DIQUINOLIZIN-18-IUM, 9-(2,4-DISULFOPHENYL)-2,3,6,7,12,13,16,17-OCTAHYDRO-, INNER SALT

Systematic Name

English

SR-101

Common Name

English

SULFORHODAMINE 640

Common Name

English

Code System Code Type Description

PUBCHEM

122180