Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

Contact Supplier

SPI Pharma has been solving formulation challenges using superior functional materials.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl ester, (4r,5r,6s)-, 104873-15-6, Schembl2062622, P-nitrobenzyl (1r,5r,6s)-6-[1(r)-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylate, (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2- oxocarbapenam-3-carboxylic acid 4-nitrobenzyl ester, (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-carbapenam-3-carboxylic acid 4-nitrobenzyl ester

Molecular Formula

C₁₇H₁₈N₂O₇

Molecular Weight

362.3 g/mol

InChI Key

GUGYCHHWTVUBLV-MSECNUKYSA-N

1 2D Structure

Surecn2062622

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-nitrophenyl)methyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

2.1.2 InChI

InChI=1S/C17H18N2O7/c1-8-13-12(9(2)20)16(22)18(13)14(15(8)21)17(23)26-7-10-3-5-11(6-4-10)19(24)25/h3-6,8-9,12-14,20H,7H2,1-2H3/t8-,9-,12-,13-,14?/m1/s1

2.1.3 InChI Key

GUGYCHHWTVUBLV-MSECNUKYSA-N

2.1.4 Canonical SMILES

CC1C2C(C(=O)N2C(C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(C)O

2.1.5 Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@@H](C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-azabicyclo[3.2.0]heptane-2-carboxylic Acid, 6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl Ester, (4r,5r,6s)-

2. 104873-15-6

3. Schembl2062622

4. P-nitrobenzyl (1r,5r,6s)-6-[1(r)-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylate

5. (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2- Oxocarbapenam-3-carboxylic Acid 4-nitrobenzyl Ester

6. (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-carbapenam-3-carboxylic Acid 4-nitrobenzyl Ester

7. (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylic Acid 4-nitrobenzyl Ester

8. (4r,5beta)-3,7-dioxo-4alpha-methyl-6beta-[(r)-1-hydroxyethyl]-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4-nitrobenzyl Ester

9. 4-nitro-benzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

10. 4-nitrobenzyl (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

11. 4-nitrobenzyl (1r, 5r, 6s)-6[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

12. 4-nitrobenzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

13. 4-nitrobenzyl (4r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3, 7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

14. 4-nitrobenzyl (4r,5r,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]-heptane-2-carboxylate

15. 4-nitrobenzyl (4r,5r,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

16. P-nitrobenzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈N₂O₇
Molecular Weight	362.3 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	362.11140092 g/mol
Monoisotopic Mass	362.11140092 g/mol
Topological Polar Surface Area	130 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	623
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1