COLLIDINIUM P-TOLUENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H11N.C7H8O3S
Molecular Weight	293.381
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COLLIDINIUM P-TOLUENESULFONATE

SMILES

CC1=CC(C)=NC(C)=C1.CC2=CC=C(C=C2)S(O)(=O)=O

InChI

InChIKey=VEXWNPGPVMYVDU-UHFFFAOYSA-N

InChI=1S/C8H11N.C7H8O3S/c1-6-4-7(2)9-8(3)5-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,1-3H3;2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Molecular Formula	C8H11N
Molecular Weight	121.1796
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

Show entries

Title	Date	PubMed
Synthesis and structure of a distorted octahedral palladium(II) complex coordinated with a tetrathioether ligand tethered with bulky substituents.	2005 Nov 14	16270996
Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II.	2005 Sep 8	16134940
Ethyne-bridged (porphinato)zinc(II)-(porphinato)iron(III) complexes: phenomenological dependence of excited-state dynamics upon (porphinato)iron electronic structure.	2006 Aug 16	16895407
Ab initio study of hydrogen bonding and proton transfer in 3:1 FH:NH3 and FH:collidine complexes: structures and one- and two-bond coupling constants across hydrogen bonds.	2006 Jan 26	16420017
Synthesis of ent-thallusin.	2006 May 11	16671797

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Substance Class	Chemical
Record UNII	J4DW33JQX8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-COLLIDINE P-TOLUENESULFONATE

Preferred Name

English

COLLIDINIUM P-TOLUENESULFONATE

Common Name

English

COLLIDINIUM TOSYLATE

Common Name

English

PYRIDINE, 2,4,6-TRIMETHYL-, 4-METHYLBENZENESULFONATE (1:1)

Common Name

English

2,4,6-COLLIDINIUM TOSYLATE

Common Name

English

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Code System

Code

Type

Description

WIKIPEDIA

Collidinium p-toluenesulfonate

PRIMARY

CAS

59229-09-3

PRIMARY

EPA CompTox

DTXSID2058702

PRIMARY

PUBCHEM

2724550

PRIMARY

FDA UNII

J4DW33JQX8

PRIMARY

Showing 1 to 5 of 5 entries

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SMILES

InChI

Approval Year

PubMed

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