CEVIPABULIN FUMARATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18ClF5N6O.C4H4O4
Molecular Weight	580.892
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CEVIPABULIN FUMARATE ANHYDROUS

Structure Search

SMILES

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=TUXZQBYIZLWUKK-AFIAKLHKSA-N

InChI=1S/C18H18ClF5N6O.C4H4O4/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)/b;2-1+/t9-;/m0./s1

HIDE SMILES / InChI

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 `Sat Dec 16 06:54:36 UTC 2023` Edited by `admin` on `Sat Dec 16 06:54:36 UTC 2023`
Record UNII	9FDJ70N1KZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEVIPABULIN FUMARATE ANHYDROUS

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 (2E)-BUT-2-ENEDIOATE (1:1)

Systematic 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)

Systematic Name

English

Code System Code Type Description

PUBCHEM

71587814

Created by admin on Sat Dec 16 06:54:37 UTC 2023 , Edited by admin on Sat Dec 16 06:54:37 UTC 2023

PRIMARY

CAS

849550-67-0

Created by admin on Sat Dec 16 06:54:37 UTC 2023 , Edited by admin on Sat Dec 16 06:54:37 UTC 2023

PRIMARY

FDA UNII