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Triphenylethylene

Triphenylethylene structure

CAS No:
58-72-0
Formula:
C20H16
Chemical Name:
Triphenylethylene
Synonyms:
Benzene,1,1′,1′′-(1-ethenyl-2-ylidene)tris-;Ethylene,triphenyl-;1,1′,1′′-(1-Ethenyl-2-ylidene)tris[benzene];Triphenylethylene;Triphenylethene;1,1,2-Triphenylethylene;Benzilidenediphenylmethane;1,1,2-Triphenylethene;NSC 17535;Ethene-1,1,2-triyltribenzene;1,2-Diphenylethenylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

White to slightly beige powder

Triphenylethylene is a stilbenoid.|Triphenylethylene is the core chemical structure of a number of related anti-estrogen compounds. The triphenylethylene antiestrogens, which include idoxifene, toremifene, chlorotrianisene, raloxifene and tamoxifen, act at the level of the estrogen receptor, triggering inhibition or stimulation of estrogen-dependent gene transcription and cellular physiology. Triphenylethylenes were initially developed for the treatment of estrogen-dependent breast cancers. Selective estrogen receptor modulators (SERMs) such as raloxifene and tamoxifen represent triphenylethylene derivatives that affect transcriptional regulation through modulation of specific alpha and beta estrogen receptors that are differentially expressed in various normal and neoplastic tissues. (NCI04)

Triphenylethylene Basic Attributes

Molecular Weight：

256.34

Exact Mass：

256.34

BRN：

1867462

EC Number：

200-395-1

UNII：

S4ZLZ1K74B

NSC Number：

17535

DSSTox ID：

DTXSID3022320

NCI Thesaurus Code：

C29863

HScode：

29029080

Characteristics

PSA：

XLogP3：

5.27550

Appearance：

White powder.

Density：

1.0719 g/cm³ @ Temp: 25 °C

Melting Point：

72.5 °C

Boiling Point：

200-218 °C @ Press: 13 Torr

Flash Point：

219-221°C/14mm

Refractive Index：

1.6292 (78ºC)

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

22-36-50/53

safety instructions：

26-36/37-60-61

RTECS Number：

KX4920000

Marks：

Xn,N,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds. (See all compounds classified as Estrogen Antagonists.)

MeSH Entry Terms：

triphenylethylene

Triphenylethylene Use and Manufacturing

Uses

Pharmaceutical intermediates and other fine chemical products

Manufacturing Info：

Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-: ACTIVE

Computed Properties

Molecular Weight:256.3
XLogP3:6.1
Rotatable Bond Count:3
Exact Mass:256.125200510
Monoisotopic Mass:256.125200510
Heavy Atom Count:20
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes