NITROMIFENE CITRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H28N2O4.C6H8O7
Molecular Weight	636.6457
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+]([O-])=O)C3=CC=C(OCCN4CCCC4)C=C3

InChI

InChIKey=LHAPNDAERSFWSC-JGUILPGDSA-N

InChI=1S/C27H28N2O4.C6H8O7/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,7-16H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b27-26+;

HIDE SMILES / InChI

Molecular Formula	C27H28N2O4
Molecular Weight	444.5222
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
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 `Fri Dec 15 15:18:13 UTC 2023` Edited by `admin` on `Fri Dec 15 15:18:13 UTC 2023`
Record UNII	TN5UQ266RA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NITROMIFENE CITRATE

Official Name

English

CI 628

Code

English

NITROMIFENE CITRATE [USAN]

Common Name

English

CN 55945-27

Code

English

PYRROLIDINE, 1-(2-(4-(1-(4-METHOXYPHENYL)-2-NITRO-2-PHENYLETHENYL)PHENOXY)ETHYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

NSC-110407

Code

English

1-(2-(P-(.ALPHA.-(P-METHOXYPHENYL)-.BETA.-NITROSTYRYL)PHENOXY)ETHYL)PYRROLIDINE CITRATE (1:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C481