BMS-188494

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H39O11PS
Molecular Weight	614.641
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(CCCC1=CC=CC(OC2=CC=CC=C2)=C1)S(O)(=O)=O

InChI

InChIKey=PMGZJNCIQHGNLT-UHFFFAOYSA-N

InChI=1S/C28H39O11PS/c1-27(2,3)25(29)35-19-37-40(31,38-20-36-26(30)28(4,5)6)24(41(32,33)34)17-11-13-21-12-10-16-23(18-21)39-22-14-8-7-9-15-22/h7-10,12,14-16,18,24H,11,13,17,19-20H2,1-6H3,(H,32,33,34)

HIDE SMILES / InChI

Molecular Formula	C28H39O11PS
Molecular Weight	614.641
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:05:57 GMT 2023` Edited by `admin` on `Sat Dec 16 11:05:57 GMT 2023`
Record UNII	F4W2579G7P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-188494

Common Name

English

PROPANOIC ACID, 2,2-DIMETHYL-, 1,1'-(((4-(3-PHENOXYPHENYL)-1-SULFOBUTYL)PHOSPHINYLIDENE)BIS(OXYMETHYLENE)) ESTER

Systematic Name

English

PROPANOIC ACID, 2,2-DIMETHYL-, ((4-(3-PHENOXYPHENYL)-1-SULFOBUTYL)PHOSPHINYLIDENE)BIS(OXYMETHYLENE) ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90940825

Created by admin on Sat Dec 16 11:05:57 GMT 2023 , Edited by admin on Sat Dec 16 11:05:57 GMT 2023

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CAS

191866-32-7

Created by admin on Sat Dec 16 11:05:57 GMT 2023 , Edited by admin on Sat Dec 16 11:05:57 GMT 2023

PRIMARY

FDA UNII

F4W2579G7P

Created by admin on Sat Dec 16 11:05:57 GMT 2023 , Edited by admin on Sat Dec 16 11:05:57 GMT 2023

PRIMARY

PUBCHEM

154098

Created by admin on Sat Dec 16 11:05:57 GMT 2023 , Edited by admin on Sat Dec 16 11:05:57 GMT 2023

PRIMARY

Related Record Type Details


					F4W2579G7P

BMS-188494

ACTIVE MOIETY