Elisrasib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H35F6N7O3
Molecular Weight	679.6558
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(N)=C(F)C([C@@H]2CC3=NC(OC[C@@]45CCCN4C[C@H](F)C5)=NC(N6CCN([C@@H](CC#N)C6)C(=O)C(F)=C)=C3CO2)=C1C(F)(F)F

InChI

InChIKey=JOLORSRKBHXPFT-PNGHJTAWSA-N

InChI=1S/C32H35F6N7O3/c1-17-10-22(40)27(35)25(26(17)32(36,37)38)24-11-23-21(15-47-24)28(43-8-9-45(29(46)18(2)33)20(14-43)4-6-39)42-30(41-23)48-16-31-5-3-7-44(31)13-19(34)12-31/h10,19-20,24H,2-5,7-9,11-16,40H2,1H3/t19-,20+,24+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H35F6N7O3
Molecular Weight	679.6558
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:12:40 GMT 2025` Edited by `admin` on `Wed Apr 02 12:12:40 GMT 2025`
Record UNII	PFW9YLB86H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D3S-001

Preferred Name

English

Elisrasib

Official Name

English

2-Piperazineacetonitrile, 4-[(7S)-7-[3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl]-2-[[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-, (2S)-

Systematic Name

English

elisrasib [INN]

Common Name

English

2-PIPERAZINEACETONITRILE, 4-(7-(3-AMINO-2-FLUORO-5-METHYL-6-(TRIFLUOROMETHYL)PHENYL)-2-(((2R,7AS)-2-FLUOROTETRAHYDRO-1H-PYRROLIZIN-7A(5H)-YL)METHOXY)-7,8-DIHYDRO-5H-PYRANO(4,3-D)PYRIMIDIN-4-YL)-1-(2-FLUORO-1-OXO-2-PROPEN-1-YL)-, (2S)-

Systematic Name

English

2-((S)-4-((S)-7-(3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl)-2-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-1-(2-fluoroacryloyl)piperazin-2-yl)acetonitrile

Systematic Name

English

[(2S)-4-[(7S)-7-[3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl]-2-{[(2R,7aS)-2-fluorotetrahydro-1Hpyrrolizin-7a(5H)-yl]methoxy}-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

932223