Divarasib adipate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H32ClF4N7O2.C6H10O4
Molecular Weight	768.198
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, R

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCCC(O)=O.C[C@H]1CN(CCN1C2=NC(OC[C@@H]3CCCN3C)=NC4=C(F)C(=C(Cl)C=C24)C5=C(C(C)=CC(N)=N5)C(F)(F)F)C(=O)C=C

InChI

InChIKey=KUWNSHZGOCXVAI-QJHJCNPRSA-N

InChI=1S/C29H32ClF4N7O2.C6H10O4/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4;7-5(8)3-1-2-4-6(9)10/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36);1-4H2,(H,7,8)(H,9,10)/t16-,17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C6H8O4
Molecular Weight	144.1253
Charge	-2
Count

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

Molecular Formula	C29H32ClF4N7O2
Molecular Weight	622.057
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 15:33:51 GMT 2023` Edited by `admin` on `Sat Dec 16 15:33:51 GMT 2023`
Record UNII	OA9191WV3C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Divarasib adipate

Official Name

English

RO7435846 ADIPATE

Code

English

RG-6330 ADIPATE

Code

English

Hexanedioic acid, compd. with 1-[(3S)-4-[(7R)-7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-2-propen-1-one (1:1)

Systematic Name

English

1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}prop-2-en-1-one hexanedioate

Systematic Name

English

RG6330 ADIPATE

Code

English

DIVARASIB ADIPATE [USAN]

Common Name

English

RO-7435846 ADIPATE

Code

English

2-Propen-1-one, 1-[(3S)-4-[(7R)-7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-, hexanedioate (salt) (1:1)

Systematic Name

English

GDC-6036 ADIPATE

Code

English

Code System Code Type Description

SMS_ID

300000013621