TOZASERTIB LACTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N8OS.C3H6O3
Molecular Weight	554.664
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C(O)=O.CN1CCN(CC1)C2=NC(SC3=CC=C(NC(=O)C4CC4)C=C3)=NC(NC5=NNC(C)=C5)=C2

InChI

InChIKey=MHFUWOIXNMZFIW-WNQIDUERSA-N

InChI=1S/C23H28N8OS.C3H6O3/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16;1-2(4)3(5)6/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29);2,4H,1H3,(H,5,6)/t;2-/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28N8OS
Molecular Weight	464.586
Charge	0
Count

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

Molecular Formula	C3H6O3
Molecular Weight	90.0779
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:29:27 UTC 2023` Edited by `admin` on `Fri Dec 15 16:29:27 UTC 2023`
Record UNII	CN8EF9N084
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOZASERTIB LACTATE

Official Name

English

N-(4-((4-(4-METHYLPIPERAZIN-1-YL)-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)PYRIMIDIN-2- YL)SULFANYL)PHENYL)CYCLOPROPANECARBOXAMIDE (2S)-2-HYDROXYPROPANOATE

Systematic Name

English

VX-680 LACTATE

Code

English

TOZASERTIB LACTATE [USAN]

Common Name

English

PROPANOIC ACID, 2-HYDROXY-, (2S)-, COMPD. WITH N-(4-((4-(4-METHYL-1-PIPERAZINYL)-6-((5- METHYL-1H-PYRAZOL-3-YL)AMINO)-2-PYRIMIDINYL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE

Common Name

English

MK-0457

Code

English

MK0457

Code

English

Tozasertib lactate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62556