RUBOXISTAURIN MESYLATE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H28N4O3.CH4O3S.H2O
Molecular Weight	582.668
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RUBOXISTAURIN MESYLATE MONOHYDRATE

Structure Search

SMILES

O.CS(O)(=O)=O.CN(C)C[C@@H]1CCN2C=C(C3=C2C=CC=C3)C4=C(C(=O)NC4=O)C5=CN(CCO1)C6=C5C=CC=C6

InChI

InChIKey=YTKBKIVYPITVAO-NTEVMMBTSA-N

InChI=1S/C28H28N4O3.CH4O3S.H2O/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24;1-5(2,3)4;/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34);1H3,(H,2,3,4);1H2/t18-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
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

Molecular Formula	C28H28N4O3
Molecular Weight	468.5469
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:58:54 UTC 2023` Edited by `admin` on `Fri Dec 15 15:58:54 UTC 2023`
Record UNII	4TY24FTS56
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBOXISTAURIN MESYLATE MONOHYDRATE

Common Name

English

9H,18H-5,21:12,17-DIMETHENODIBENZO(E,K)PYRROLO(3,4-H)(1,4,13)OXADIAZACYCLOHEXADECINE-18,20(19H)-DIONE, 9-((DIMETHYLAMINO)METHYL)-6,7,10,11-TETRAHYDRO-, (9S)-, METHANESULFONATE, HYDRATE (1:1:1)

Common Name

English

ARXXANT

Brand Name

English

RUBOXISTAURIN METHANESULFONATE MONOHYDRATE [MI]

Common Name

English

9H,18H-5,21:12,17-DIMETHENODIBENZO(E,K)PYRROLO(3,4-H)(1,4,13)OXADIAZACYCLOHEXADECINE-18,20(19H)-DIONE, 9-((DIMETHYLAMINO)METHYL)-6,7,10,11-TETRAHYDRO-, (9S)-, MONOMETHANESULFONATE, MONOHYDRATE

Systematic Name

English

RUBOXISTAURIN METHANESULFONATE MONOHYDRATE

Common Name

English

Code System Code Type Description

PUBCHEM

6918370