CENISERTIB BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30FN7O.C7H6O2
Molecular Weight	573.661
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.CN2CCN(CC2)C3=C(C)C=C(NC4=NC=C(F)C(N[C@@H]5[C@@H]6C[C@@H](C=C6)[C@@H]5C(N)=O)=N4)C=C3

InChI

InChIKey=MZPZKZPRYUOUIW-MCOAATBNSA-N

InChI=1S/C24H30FN7O.C7H6O2/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33;8-7(9)6-4-2-1-3-5-6/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30);1-5H,(H,8,9)/t15-,16+,20+,21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H30FN7O
Molecular Weight	451.5397
Charge	0
Count

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

Molecular Formula	C7H6O2
Molecular Weight	122.1213
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 `Sat Dec 16 02:18:19 UTC 2023` Edited by `admin` on `Sat Dec 16 02:18:19 UTC 2023`
Record UNII	S68QU67MAZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CENISERTIB BENZOATE

Common Name

English

R-763 BENZOATE

Code

English

AS-703569 BENZOATE

Code

English

(1S,2S,3R,4R)-3-(5-FLUORO-2-(3-METHYL-4-(4-METHYLPIPERAZIN-1-YL)-PHENYLAMINO)-PYRIMIDIN-4-YLAMINO)BICYCLE(2.2.1)HEPT-5-ENE-2-CARBOXAMIDE BENZOATE

Common Name

English

MSC-1992371A

Common Name

English

BICYCLO(2.2.1)HEPT-5-ENE-2-CARBOXAMIDE, 3-((5-FLUORO-2-((3-METHYL-4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-4-PYRIMIDINYL)AMINO)-, (1S,2S,3R,4R)-, BENZOATE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

299109