METHAPYRILENE FUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C14H19N3S.3C4H4O4
Molecular Weight	870.988
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.CN(C)CCN(CC3=CC=CS3)C4=CC=CC=N4

InChI

InChIKey=OLGIEIJNOQGBSS-VQYXCCSOSA-N

InChI=1S/2C14H19N3S.3C4H4O4/c2*1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;3*5-3(6)1-2-4(7)8/h2*3-8,11H,9-10,12H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

HIDE SMILES / InChI

Molecular Formula	C14H19N3S
Molecular Weight	261.386
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:01:18 UTC 2023` Edited by `admin` on `Fri Dec 15 15:01:18 UTC 2023`
Record UNII	KJ5I25TXYL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHAPYRILENE FUMARATE

Common Name

English

METHAPYRILENE FUMARATE [MI]

Common Name

English

1,2-ETHANEDIAMINE, N,N-DIMETHYL-N'-2-PYRIDINYL-N'-(2-THIENYLMETHYL)-, (E)-2-BUTENEDIOATE (2:3)

Common Name

English

Methapyrilene fumarate [WHO-DD]

Common Name

English

THENYLPYRAMINE FUMARATE

Systematic Name

English

2-[[2-(Dimethylamino)ethyl]-2-thenylamino]pyridine fumarate (2:3)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29578