L-771688 DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33F2N5O5.2ClH
Molecular Weight	630.511
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C(=O)N1)C4=CC(F)=C(F)C=C4)C(=O)OC

InChI

InChIKey=ZMUWSPDVFPVYFA-WLOLSGMKSA-N

InChI=1S/C28H33F2N5O5.2ClH/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;;/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38);2*1H/t25-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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 `Sat Dec 16 11:33:46 UTC 2023` Edited by `admin` on `Sat Dec 16 11:33:46 UTC 2023`
Record UNII	XGGG2PJHPP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-771688 DIHYDROCHLORIDE

Code

English

METHYL (4S)-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-3-(3-(4-(2-PYRIDYL)-1-PIPERIDYL)PROPYLCARBAMOYL)-1,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE DIHYDROCHLORIDE

Systematic Name

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, HYDROCHLORIDE (1:2), (6S)-

Systematic Name

English

Code System Code Type Description

CAS

200051-19-0

Created by admin on Sat Dec 16 11:33:46 UTC 2023 , Edited by admin on Sat Dec 16 11:33:46 UTC 2023

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PUBCHEM

131635186

Created by admin on Sat Dec 16 11:33:46 UTC 2023 , Edited by admin on Sat Dec 16 11:33:46 UTC 2023

PRIMARY

FDA UNII

XGGG2PJHPP

Created by admin on Sat Dec 16 11:33:46 UTC 2023 , Edited by admin on Sat Dec 16 11:33:46 UTC 2023

PRIMARY

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L-771688

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