CEVIPABULIN FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18ClF5N6O.C4H4O4.2H2O
Molecular Weight	616.923
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.OC(=O)\C=C\C(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=UUFXQPPJVCARJY-CBVSRFFLSA-N

InChI=1S/C18H18ClF5N6O.C4H4O4.2H2O/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;1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1+;;/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	C18H18ClF5N6O
Molecular Weight	464.82
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:11 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:11 UTC 2023`
Record UNII	Q380BYV049
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEVIPABULIN FUMARATE

Official Name

English

CEVIPABULIN FUMARATE [USAN]

Common Name

English

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

Common Name

English

TTI-237 FUMARATE DIHYDRATE

Code

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 (2E)-but-2-enedioate (1:1) dihydrate

Common Name

English

Cevipabulin fumarate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C25974