ELINAFIDE BISMESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H28N4O4.2CH4O3S
Molecular Weight	712.79
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.O=C1N(CCNCCCNCCN2C(=O)C3=CC=CC4=CC=CC(C2=O)=C34)C(=O)C5=C6C(C=CC=C16)=CC=C5

InChI

InChIKey=ZDEINNOMAWXNKF-UHFFFAOYSA-N

InChI=1S/C31H28N4O4.2CH4O3S/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39;2*1-5(2,3)4/h1-4,6-13,32-33H,5,14-19H2;2*1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C31H28N4O4
Molecular Weight	520.5784
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:39 UTC 2023` Edited by `admin` on `Fri Dec 15 15:45:39 UTC 2023`
Record UNII	3FC3K5CEP1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELINAFIDE BISMESYLATE

Common Name

English

1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 2,2'-(1,3-PROPANEDIYLBIS(IMINO-2,1-ETHANEDIYL))BIS-, DIMETHANESULFONATE

Systematic Name

English

Code System Code Type Description

FDA UNII

3FC3K5CEP1

Created by admin on Fri Dec 15 15:45:39 UTC 2023 , Edited by admin on Fri Dec 15 15:45:39 UTC 2023

PRIMARY

CAS

199330-45-5

Created by admin on Fri Dec 15 15:45:39 UTC 2023 , Edited by admin on Fri Dec 15 15:45:39 UTC 2023

PRIMARY

PUBCHEM

87307580

Created by admin on Fri Dec 15 15:45:39 UTC 2023 , Edited by admin on Fri Dec 15 15:45:39 UTC 2023

PRIMARY

CAS

162706-57-2

Created by admin on Fri Dec 15 15:45:39 UTC 2023 , Edited by admin on Fri Dec 15 15:45:39 UTC 2023

NON-SPECIFIC STOICHIOMETRY

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