ONO-4007

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H78NO12S.Na
Molecular Weight	940.209
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCCCCCCCCC[C@@H](CC(=O)N[C@@H](C=O)[C@@H](OC(=O)CCCCCCCCC1=CC=CC=C1)[C@H](OS([O-])(=O)=O)[C@H](O)CO)OC(=O)CCCCCCCCC2=CC=CC=C2

InChI

InChIKey=RGYRFKPZWVWWBI-KRKOBBQYSA-M

InChI=1S/C50H79NO12S.Na/c1-2-3-4-5-6-7-8-15-26-35-43(61-47(56)36-27-16-11-9-13-20-29-41-31-22-18-23-32-41)38-46(55)51-44(39-52)49(50(45(54)40-53)63-64(58,59)60)62-48(57)37-28-17-12-10-14-21-30-42-33-24-19-25-34-42;/h18-19,22-25,31-34,39,43-45,49-50,53-54H,2-17,20-21,26-30,35-38,40H2,1H3,(H,51,55)(H,58,59,60);/q;+1/p-1/t43-,44-,45+,49+,50+;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C50H78NO12S
Molecular Weight	917.219
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:22:14 GMT 2023` Edited by `admin` on `Sat Dec 16 20:22:14 GMT 2023`
Record UNII	3TC6XD4HY7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ONO-4007

Code

English

Ono-4007 sodium salt

Common Name

English

2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose monosodium salt

Systematic Name

English

D-Glucose, 2-deoxy-2-[[1-oxo-3-[(1-oxo-9-phenylnonyl)oxy]tetradecyl]amino]-, 3-benzenenonanoate 4-(hydrogen sulfate), monosodium salt, (S)-

Systematic Name

English

D-Glucose, 2-deoxy-2-[[(3S)-1-oxo-3-[(1-oxo-9-phenylnonyl)oxy]tetradecyl]amino]-, 3-benzenenonanoate 4-(hydrogen sulfate), sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

3TC6XD4HY7

Created by admin on Sat Dec 16 20:22:14 GMT 2023 , Edited by admin on Sat Dec 16 20:22:14 GMT 2023

PRIMARY

CAS

152646-95-2

Created by admin on Sat Dec 16 20:22:14 GMT 2023 , Edited by admin on Sat Dec 16 20:22:14 GMT 2023

PRIMARY

PUBCHEM

23664981

Created by admin on Sat Dec 16 20:22:14 GMT 2023 , Edited by admin on Sat Dec 16 20:22:14 GMT 2023

PRIMARY

Related Record Type Details


					NX2K9UU6V4

ONO-4007 Free acid

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					NX2K9UU6V4

ONO-4007 Free acid

ACTIVE MOIETY

Amount: