BEDORADRINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C24H32N2O5.H2O4S
Molecular Weight	955.121
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@H](O)C3=CC(CCO)=C(O)C=C3)C=C1.CN(C)C(=O)COC4=CC5=C(CC[C@@H](C5)NC[C@H](O)C6=CC(CCO)=C(O)C=C6)C=C4

InChI

InChIKey=VPCOODFYDJWLHD-YMZXMBPUSA-N

InChI=1S/2C24H32N2O5.H2O4S/c2*1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27;1-5(2,3)4/h2*4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3;(H2,1,2,3,4)/t2*20-,23-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H32N2O5
Molecular Weight	428.5213
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:38:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:03 UTC 2023`
Record UNII	P875C0DV2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEDORADRINE SULFATE

Official Name

English

ACETAMIDE, N,N-DIMETHYL-2-(((7S)-5,6,7,8-TETRAHYDRO-7-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL)ETHYL)AMINO)-2-NAPHTHALENYL)OXY)-, SULPHATE (2:1) (SALT)

Common Name

English

BIS(2-(((7S)-7-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)OXY)-N,N-DIMETHYLACETAMIDE) SULPHATE

Common Name

English

KUR-1246

Code

English

BEDORADRINE SULPHATE

Common Name

English

Bis[2-[[(7S)-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide] sulfate

Common Name

English

ACETAMIDE, N,N-DIMETHYL-2-(((7S)-5,6,7,8-TETRAHYDRO-7-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL)ETHYL)AMINO)-2-NAPHTHALENYL)OXY)-, SULFATE (2:1) (SALT)

Common Name

English

BEDORADRINE SULFATE [USAN]

Common Name

English

KUR-1246 MONOSULPHATE

Code

English

MN-221

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C48149