Lasofoxifene tartrate

C₃₂H₃₇NO₈CAS 190791-29-8563.65 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ether Phenol Tertiary amine

Properties

Molecular formula: C₃₂H₃₇NO₈
Molar mass: 563.65 g/mol
Exact mass: 563.2519 Da
logP: 3.61Crippen estimate
Polar surface area: 147.8 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 9
Stereocentres: S, S, S, Rin SMILES atom order

Hazards

Danger

H318 Causes serious eye damage100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P273, P280, P305+P354+P338, P317, P318, P319, P391, P405, P501

Identifiers

CAS number

190791-29-8

SMILES

O=C(O)[C@@H](O)[C@H](O)C(=O)O.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1

InChIKey

INEHJXCWEVNEDZ-LUDNRVPPSA-N

InChI

InChI=1S/C28H31NO2.C4H6O6/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29;5-1(3(7)8)2(6)4(9)10/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2;1-2,5-6H,(H,7,8)(H,9,10)/t26-,28+;1-,2-/m10/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R,6S)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R-cis)-, [S-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R,6S)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1) (salt)
CP 336156
CB 336156EB
Oporia
Fablyn

Work with Lasofoxifene tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid, enantiomer D-Tartaric acid147-71-7Free acid DL-Tartaric acid133-37-9Free acid 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Potassium bitartrate868-14-4Salt, enantiomer Sodium tartrate868-18-8Salt, enantiomer Potassium sodium tartrate304-59-6Salt, enantiomer Potassium tartrate921-53-9Salt, enantiomer N,N-Dimethylethanolamine bitartrate5988-51-2Salt, enantiomer (-)-Epinephrine (+)-bitartrate51-42-3Salt, enantiomer Choline bitartrate87-67-2Salt, enantiomer (-)-Norepinephrine (+)-bitartrate51-40-1Salt, enantiomer

Similar compounds

Raloxifene84449-90-136 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-935 % similar Raloxifene hydrochloride82640-04-834 % similar Bazedoxifene acetate198481-33-333 % similar 4-Propoxymandelic acid79694-16-932 % similar N-(2-(p-Bromophenoxy)ethyl)pyrrolidine1081-73-832 % similar Bazedoxifene198481-32-231 % similar Morpholin-4-yl-phenyl-acetic acid6342-19-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tamoxifen citrate54965-24-1

Elsewhere

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