DOBUTAMINE LACTOBIONATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H23NO3.C12H22O12
Molecular Weight	659.676
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CCC1=CC=C(O)C=C1)NCCC2=CC(O)=C(O)C=C2.[H][C@@]3(O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=XSGHHWMGNIMZCA-FPOQQNBBSA-N

InChI=1S/C18H23NO3.C12H22O12/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h4-9,12-13,19-22H,2-3,10-11H2,1H3;3-10,12-20H,1-2H2,(H,21,22)/t;3-,4-,5+,6+,7-,8-,9-,10-,12+/m.1/s1

HIDE SMILES / InChI

Molecular Formula	C12H22O12
Molecular Weight	358.2959
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C18H23NO3
Molecular Weight	301.3801
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 `Fri Dec 15 17:49:01 UTC 2023` Edited by `admin` on `Fri Dec 15 17:49:01 UTC 2023`
Record UNII	CP0YC140T9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOBUTAMINE LACTOBIONATE

Official Name

English

DOBUTAMINE LACTOBIONATE [USAN]

Common Name

English

LY-207506

Code

English

1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-, (±)-, 4-O-.BETA.-D-GALACTOPYRANOSYL-D-GLUCONATE (SALT)

Common Name

English

LY207506

Code

English

(±)-4-(2-((3-(P-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)PYROCATECHOL LACTOBIONATE (SALT)

Common Name

English

Dobutamine lactobionate [WHO-DD]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30909037