EDONENTAN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H32N4O5S.H2O
Molecular Weight	554.658
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CN(CC1=CC(=CC=C1C2=C(C=CC=C2)S(=O)(=O)NC3=NOC(C)=C3C)C4=NC=CO4)C(=O)CC(C)(C)C

InChI

InChIKey=VRUJTPHFVRXEPB-UHFFFAOYSA-N

InChI=1S/C28H32N4O5S.H2O/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5;/h7-15H,16-17H2,1-6H3,(H,30,31);1H2

HIDE SMILES / InChI

Molecular Formula	C28H32N4O5S
Molecular Weight	536.642
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 `Fri Dec 15 15:29:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:52 UTC 2023`
Record UNII	2CCC8CH216
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDONENTAN

Official Name

English

BUTANAMIDE, N-((2'-(((4,5-DIMETHYL-3-ISOXAZOLYL) AMINO)SULFONYL)-4-(2-OXAZOLYL) (1,1'-BIPHENYL)-2-YL)METHYL)-N,3,3-TRIMETHYL-, MONOHYDRATE

Common Name

English

EDONENTAN [USAN]

Common Name

English

N-[2-[2-[(4,5-Dimethylisoxazol-3-yl)sulfamoyl]phenyl]-5-(oxazol-2-yl)benzyl]-N,3,3-trimethylbutanamide, monohydrate

Systematic Name

English

BMS-207940-02

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29707