MILVEXIAN TRIFLUOROACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H23Cl2F2N9O2.C2HF3O2
Molecular Weight	740.467
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.C[C@@H]1CCC[C@H](N2C=NC(=CC2=O)C3=CC(Cl)=CC=C3N4C=C(Cl)N=N4)C5=CC(=CC=N5)C6=C(NC1=O)C=NN6C(F)F

InChI

InChIKey=BNDDKCJHMXEGIX-WUTOIGTNSA-N

InChI=1S/C28H23Cl2F2N9O2.C2HF3O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40;3-2(4,5)1(6)7/h5-15,23,28H,2-4H2,1H3,(H,36,43);(H,6,7)/t15-,23+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

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

Molecular Formula	C28H23Cl2F2N9O2
Molecular Weight	626.444
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:26:29 UTC 2023` Edited by `admin` on `Sat Dec 16 15:26:29 UTC 2023`
Record UNII	4A3MKD2ZOP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MILVEXIAN TRIFLUOROACETATE

Common Name

English

BMS-986177 TRIFLUOROACETATE

Code

English

JNJ-70033093 TRIFLUOROACETATE

Code

English

11,15-METHENO-15H-PYRAZOLO(4,3-B)(1,7)DIAZACYCLOTETRADECIN-5(6H)-ONE, 10-(4-(5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL)-6-OXO-1(6H)-PYRIMIDINYL)-1-(DIFLUOROMETHYL)-1,4,7,8,9,10-HEXAHYDRO-6-METHYL-, (6R,10S)-, 2,2,2-TRIFLUOROACETATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1900687-79-7

Created by admin on Sat Dec 16 15:26:29 UTC 2023 , Edited by admin on Sat Dec 16 15:26:29 UTC 2023

NON-SPECIFIC STOICHIOMETRY

CAS

1802426-00-1

Created by admin on Sat Dec 16 15:26:29 UTC 2023 , Edited by admin on Sat Dec 16 15:26:29 UTC 2023

PRIMARY

PUBCHEM

118277543

Created by admin on Sat Dec 16 15:26:29 UTC 2023 , Edited by admin on Sat Dec 16 15:26:29 UTC 2023

PRIMARY

FDA UNII

4A3MKD2ZOP

Created by admin on Sat Dec 16 15:26:29 UTC 2023 , Edited by admin on Sat Dec 16 15:26:29 UTC 2023

PRIMARY

Related Record Type Details


					0W79NDQ608

MILVEXIAN

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					0W79NDQ608

MILVEXIAN

ACTIVE MOIETY