CEVIPABULIN SUCCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18ClF5N6O.C4H6O4.2H2O
Molecular Weight	618.939
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.OC(=O)CCC(O)=O.CNCCCOC1=CC(F)=C(C(F)=C1)C2=C(N[C@@H](C)C(F)(F)F)N3N=CN=C3N=C2Cl

InChI

InChIKey=FWNIBMRSBSSPNP-DXYFNVQQSA-N

InChI=1S/C18H18ClF5N6O.C4H6O4.2H2O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2;5-3(6)1-2-4(7)8;;/h6-9,25,28H,3-5H2,1-2H3;1-2H2,(H,5,6)(H,7,8);2*1H2/t9-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

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

Molecular Formula	C18H18ClF5N6O
Molecular Weight	464.82
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 15:37:27 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:27 UTC 2023`
Record UNII	8XI0CX98LY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEVIPABULIN SUCCINATE

Official Name

English

CEVIPABULIN SUCCINATE [USAN]

Common Name

English

TTI-237 SUCCINATE DIHYDRATE

Code

English

BUTANEDIOIC ACID, COMPD. WITH 5-CHLORO-6-(2,6-DIFLUORO-4-(3-(METHYLAMINO)PROPOXY)PHENYL)-N-((1S)-2,2,2-TRIFLUORO-1-METHYLETHYL)(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7-AMINE (1:1), DIHYDRATE

Common Name

English

5-CHLORO-6-(2,6-DIFLUORO-4-(3-(METHYLAMINO)PROPOXY)PHENYL)-N-((1S)-2,2,2-TRIFLUORO-1-METHYLETHYL)(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7-AMINE SUCCINATE DIHYDRATE

Systematic Name

English

Cevipabulin succinate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C25974