IFETROBAN SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31N2O5.Na
Molecular Weight	462.5138
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2CC4=C(CCC([O-])=O)C=CC=C4

InChI

InChIKey=WOHSQDNIXPEQAE-QBKVZTCDSA-M

InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18-,20-,21+,23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C25H31N2O5
Molecular Weight	439.524
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
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 `Fri Dec 15 15:41:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:41:38 UTC 2023`
Record UNII	48IJA0E92C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IFETROBAN SODIUM

Official Name

English

IFETROBAN SODIUM [USAN]

Common Name

English

BMS-180291-02

Code

English

BENZENEPROPANOIC ACID, 2-((3-(4-((PENTYLAMINO)CARBONYL)-2-OXAZOLYL)-7-OXABICYCLO(2.2.1)HEPT-2-YL)METHYL)-, MONOSODIUM SALT, (1S-(EXO,EXO))-

Common Name

English

Sodium O-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamate

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1327