RODATRISTAT ETHYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H31ClF3N5O3
Molecular Weight	590.036
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)[C@@H]1CC2(CN1)CCN(CC2)C3=NC(N)=NC(O[C@H](C4=CC=C(Cl)C=C4C5=CC=CC=C5)C(F)(F)F)=C3

InChI

InChIKey=TZSZZENYCISATO-WIOPSUGQSA-N

InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H31ClF3N5O3
Molecular Weight	590.036
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 `Sat Dec 16 11:08:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:08:48 GMT 2023`
Record UNII	507FY6OL37
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RODATRISTAT ETHYL

Official Name

English

KAR-5585

Code

English

ETHYL (3S)-8-(2-AMINO-6-((1R)-1-(5-CHLORO(1,1'-BIPHENYL)-2-YL)-2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-4-YL)-2,8-DIAZASPIRO(4.5)DECANE-3-CARBOXYLATE

Systematic Name

English

KAR5585

Code

English

RODATRISTAT ETHYL [USAN]

Common Name

English

2,8-DIAZASPIRO(4.5)DECANE-3-CARBOXYLIC ACID, 8-(2-AMINO-6-((1R)-1-(5-CHLORO(1,1'-BIPHENYL)-2-YL)-2,2,2-TRIFLUOROETHOXY)-4-PYRIMIDINYL)-, ETHYL ESTER, (3S)-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

492715