OBICETRAPIB CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C32H30F9N4O5.Ca
Molecular Weight	1483.258
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=C(OCCCC([O-])=O)C=N3)C4=C1C=CC(=C4)C(F)(F)F.CCOC(=O)N5[C@H](CC)C[C@H](N(CC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C7=NC=C(OCCCC([O-])=O)C=N7)C8=C5C=CC(=C8)C(F)(F)F

InChI

InChIKey=QJYLTBPMVPTRPX-NVRNJZRHSA-L

InChI=1S/2C32H31F9N4O5.Ca/c2*1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41;/h2*7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47);/q;;+2/p-2/t2*22-,26+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C32H30F9N4O5
Molecular Weight	721.59
Charge	-1
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 08:13:16 GMT 2023` Edited by `admin` on `Sat Dec 16 08:13:16 GMT 2023`
Record UNII	8303E7ZEKW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OBICETRAPIB CALCIUM

Common Name

English

1(2H)-QUINOLINECARBOXYLIC ACID, 4-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)(5-(3-CARBOXYPROPOXY)-2-PYRIMIDINYL)AMINO)-2-ETHYL-3,4-DIHYDRO-6-(TRIFLUOROMETHYL)-, 1-ETHYL ESTER, CALCIUM SALT (2:1), (2R,4S)-

Systematic Name

English

Code System Code Type Description

SMS_ID

300000013053

Created by admin on Sat Dec 16 08:13:16 GMT 2023 , Edited by admin on Sat Dec 16 08:13:16 GMT 2023

PRIMARY

PUBCHEM

121488158

Created by admin on Sat Dec 16 08:13:16 GMT 2023 , Edited by admin on Sat Dec 16 08:13:16 GMT 2023

PRIMARY

FDA UNII

8303E7ZEKW

Created by admin on Sat Dec 16 08:13:16 GMT 2023 , Edited by admin on Sat Dec 16 08:13:16 GMT 2023

PRIMARY

CAS

866399-89-5

Created by admin on Sat Dec 16 08:13:16 GMT 2023 , Edited by admin on Sat Dec 16 08:13:16 GMT 2023

PRIMARY

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