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DC Chemicals Limited
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ShangHai DC Chemicals Co.,Ltd
China
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Dayang Chem (Hangzhou) Co., Ltd.
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3952-98-5

3952-98-5 structure

3952-98-5 structure

Name: Sinigrin
Chemical Name: sinigrin
CAS Number: 3952-98-5
Molecular Formula: C₁₀H₁₆KNO₉S₂
Molecular Weight: 415.479
Catalog: Biochemical Plant extracts
Create Date: 2018-07-10 13:46:40
Modify Date: 2024-01-02 10:50:08
Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects[1].

Name	sinigrin
Synonyms	(−)-Sinigrin hydrate Allyl glucosinolate Kalium-[({[(1Z)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}-3-buten-1-yliden]amino}oxy)sulfonyl]oxidanid Kalium-1-S-[(1Z)-N-(sulfonatooxy)-3-butenimidoyl]-1-thio-β-D-glucopyranose Myronate Potassium 1-Thio-b-D-glucopyranose 1-[N-(Sulfooxy)-3-butenimidate] Monopotassium Salt Potassium Myronate [({[(1Z)-1-{[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]sulfanyl}-3-butèn-1-ylidène]amino}oxy)sulfonyl]oxidanide de potassium Potassium 1-S-[(1Z)-N-(sulfonatooxy)-3-butenimidoyl]-1-thio-β-D-glucopyranose Potassium [({[(1Z)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}-3-buten-1-ylidene]amino}oxy)sulfonyl]oxidanide MFCD00149447 Sinigroside EINECS 223-545-8 Potassium 1-S-[(1E)-N-(sulfonatooxy)-3-butenimidoyl]-1-thio-β-D-glucopyranose hydrate (1:1:1) 1-S-[(1Z)-N-(Sulfonatooxy)-3-butènan-1-imidoyl]-1-thio-β-D-glucopyranose de potassium Sinigrin Hydrate β-D-Glucopyranose, 1-S-[(1E)-1-[(sulfooxy)imino]-3-buten-1-yl]-1-thio-, potassium salt, hydrate (1:1:1) Sinigrin Potassium 1-S-[(1Z)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-β-D-glucopyranose β-D-Glucopyranose, 1-S-[(1Z)-1-[(sulfooxy)imino]-3-buten-1-yl]-1-thio-, potassium salt (1:1)

Description	Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects[1].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease
References	[1]. Lee HW, et al. Inhibitory effect of sinigrin on adipocyte differentiation in 3T3-L1 cells: Involvement of AMPK and MAPK pathways. Biomed Pharmacother. 2018 Jun;102:670-680.

Melting Point	128 (dec.)(lit.)ºC
Molecular Formula	C₁₀H₁₆KNO₉S₂
Molecular Weight	415.479
Exact Mass	415.000916
PSA	202.62000
Water Solubility	almost transparency

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LZ5778000

CHEMICAL NAME :: Glucopyranose, 1-thio-, 1-(3-butenohydroximate) NO-(hydrogensulfate), monopotassium salt, beta-D-

CAS REGISTRY NUMBER :: 3952-98-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H16-N-O9-S2.K

MOLECULAR WEIGHT :: 397.49

WISWESSER LINE NOTATION :: T6OTJ BSY2U1&UNOSWO CQ DQ EQ F1Q &-KA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 644 mg/kg

SEX/DURATION :: female 8-9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 644 mg/kg

SEX/DURATION :: female 8-9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 4600 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 348,19,1995

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi
Safety Phrases	S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	LZ5778000
HS Code	29389090

Precursor 0
DownStream 6
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