LUMINESPIB MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H31N3O5.CH4O3S.H2O
Molecular Weight	579.662
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CS(O)(=O)=O.CCNC(=O)C1=NOC(=C1C2=CC=C(CN3CCOCC3)C=C2)C4=CC(C(C)C)=C(O)C=C4O

InChI

InChIKey=TUURDQPZDIZCLK-UHFFFAOYSA-N

InChI=1S/C26H31N3O5.CH4O3S.H2O/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31;1-5(2,3)4;/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32);1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

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	C26H31N3O5
Molecular Weight	465.5414
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:08:20 UTC 2023` Edited by `admin` on `Sat Dec 16 10:08:20 UTC 2023`
Record UNII	6R0MAC137G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUMINESPIB MESYLATE

Official Name

English

LUMINESPIB MESYLATE HYDRATE

Common Name

English

NVP-AUY922-AGB

Code

English

3-ISOXAZOLECARBOXAMIDE, 5-(2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL)-N-ETHYL-4-(4-(4-MORPHOLINYLMETHYL)PHENYL)-, METHANESULFONATE, HYDRATE

Systematic Name

English

5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide methanesulfonate (salt), hydrated

Common Name

English

LUMINESPIB MESYLATE [USAN]

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL252164