TIOMERGINE TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21N3S.C4H6O6
Molecular Weight	497.563
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12CC3=CNC4=C3C(=CC=C4)C1=C[C@@H](CSC5=CC=CC=N5)CN2C

InChI

InChIKey=DGGLBKGGUQAMKR-VAPABEGGSA-N

InChI=1S/C21H21N3S.C4H6O6/c1-24-12-14(13-25-20-7-2-3-8-22-20)9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24;5-1(3(7)8)2(6)4(9)10/h2-9,11,14,19,23H,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,19-;1-,2-/m11/s1

HIDE SMILES / InChI

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C21H21N3S
Molecular Weight	347.477
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:24:56 UTC 2023` Edited by `admin` on `Fri Dec 15 15:24:56 UTC 2023`
Record UNII	W36P44AVBI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIOMERGINE TARTRATE

Common Name

English

CF-25-397 TARTRATE

Code

English

ERGOLINE, 9,10-DIDEHYDRO-6-METHYL-8-((2-PYRIDINYLTHIO)METHYL)-, (8.BETA.)-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE

Systematic Name

English

ERGOLINE, 9,10-DIDEHYDRO-6-METHYL-8-((2-PYRIDINYLTHIO)METHYL)-, (8.BETA.)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)

Systematic Name

English

ERGOLINE, 9,10-DIDEHYDRO-6-METHYL-8-((2-PYRIDINYLTHIO)METHYL)-, (8.BETA.)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE

Systematic Name

English

Code System Code Type Description

CAS

58078-87-8

Created by admin on Fri Dec 15 15:24:56 UTC 2023 , Edited by admin on Fri Dec 15 15:24:56 UTC 2023

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

72710770

Created by admin on Fri Dec 15 15:24:56 UTC 2023 , Edited by admin on Fri Dec 15 15:24:56 UTC 2023

PRIMARY

CAS

65530-40-7

Created by admin on Fri Dec 15 15:24:56 UTC 2023 , Edited by admin on Fri Dec 15 15:24:56 UTC 2023

PRIMARY

FDA UNII

W36P44AVBI

Created by admin on Fri Dec 15 15:24:56 UTC 2023 , Edited by admin on Fri Dec 15 15:24:56 UTC 2023

PRIMARY

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