NIFEDIPINE PYRIMIDINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H18N4O6
Molecular Weight	398.3694
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C)N[C@H](N[C@H]1C2=C(C=CC=C2)[N+]([O-])=O)C3=C(C=CC=C3)[N+]([O-])=O

InChI

InChIKey=AANAYIQNTXWIMX-ZWKOTPCHSA-N

InChI=1S/C19H18N4O6/c1-11-16(19(24)29-2)17(12-7-3-5-9-14(12)22(25)26)21-18(20-11)13-8-4-6-10-15(13)23(27)28/h3-10,17-18,20-21H,1-2H3/t17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H18N4O6
Molecular Weight	398.3694
Charge	0
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 16:56:36 UTC 2023` Edited by `admin` on `Sat Dec 16 16:56:36 UTC 2023`
Record UNII	EXL67I47IK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIFEDIPINE PYRIMIDINE

Common Name

English

NIFEDIPINE PYRIMIDINE IMPURITY

Common Name

English

5-PYRIMIDINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-METHYL-2,4-BIS(2-NITROPHENYL)-, METHYL ESTER, CIS-(±)-

Systematic Name

English

5-PYRIMIDINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-METHYL-2,4-BIS(2-NITROPHENYL)-, METHYL ESTER

Systematic Name

English

5-PYRIMIDINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-METHYL-2,4-BIS(2-NITROPHENYL)-, METHYL ESTER, (2R,4R)-REL-

Systematic Name

English

Code System Code Type Description

CAS

108139-78-2

Created by admin on Sat Dec 16 16:56:36 UTC 2023 , Edited by admin on Sat Dec 16 16:56:36 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

80742-11-6

Created by admin on Sat Dec 16 16:56:36 UTC 2023 , Edited by admin on Sat Dec 16 16:56:36 UTC 2023

PRIMARY

FDA UNII

EXL67I47IK

Created by admin on Sat Dec 16 16:56:36 UTC 2023 , Edited by admin on Sat Dec 16 16:56:36 UTC 2023

PRIMARY

PUBCHEM

15364971

Created by admin on Sat Dec 16 16:56:36 UTC 2023 , Edited by admin on Sat Dec 16 16:56:36 UTC 2023

PRIMARY

Related Record Type Details


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OAT-2

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount: