L-771688 TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33F2N5O5.C4H6O6
Molecular Weight	707.6758
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)C3=NC=CC=C3)C(=O)N1)C4=CC=C(F)C(F)=C4)C(=O)OC

InChI

InChIKey=JZGFQNUZPKINEE-FUTSCGIJSA-N

InChI=1S/C28H33F2N5O5.C4H6O6/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22;5-1(3(7)8)2(6)4(9)10/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38);1-2,5-6H,(H,7,8)(H,9,10)/t25-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

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

Molecular Formula	C28H33F2N5O5
Molecular Weight	557.5889
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 16:24:58 UTC 2023` Edited by `admin` on `Fri Dec 15 16:24:58 UTC 2023`
Record UNII	0O6DK6NFDC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-771688 TARTRATE

Code

English

5-PYRIMIDINECARBOXYLIC ACID, 6-(3,4-DIFLUOROPHENYL)-1,2,3,6-TETRAHYDRO-4-(METHOXYMETHYL)-2-OXO-1-(((3-(4-(2-PYRIDINYL)-1-PIPERIDINYL)PROPYL)AMINO)CARBONYL)-, METHYL ESTER, (6S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

0O6DK6NFDC

Created by admin on Fri Dec 15 16:24:58 UTC 2023 , Edited by admin on Fri Dec 15 16:24:58 UTC 2023

PRIMARY

PUBCHEM

11445465

Created by admin on Fri Dec 15 16:24:58 UTC 2023 , Edited by admin on Fri Dec 15 16:24:58 UTC 2023

PRIMARY

CAS

220497-97-2

Created by admin on Fri Dec 15 16:24:58 UTC 2023 , Edited by admin on Fri Dec 15 16:24:58 UTC 2023

PRIMARY

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