BMY-21950 SODIUM, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H21F2N4O4.Na
Molecular Weight	478.4238
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CN1N=NN=C1C(\C=C\[C@H](O)C[C@H](O)CC([O-])=O)=C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3

InChI

InChIKey=NTDIRNUKAZNMSW-IYVGUKHKSA-M

InChI=1S/C23H22F2N4O4.Na/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15;/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H21F2N4O4
Molecular Weight	455.434
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:23:19 GMT 2023` Edited by `admin` on `Sat Dec 16 11:23:19 GMT 2023`
Record UNII	1L348DM9HQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMY-21950 SODIUM, (±)-

Code

English

6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, SODIUM SALT (1:1), (3R,5S,6E)-REL-

Systematic Name

English

6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, MONOSODIUM SALT, (R*,S*-(E))-(±)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001009435