CAS 315-22-0 MFCD00084656-(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione (3R,4R,5R,8a1R,13aR)-4,5-二羟基-3,4,5-三甲基-4,5,8,8a1,10,12,13,13a-八氢-2H- [1,6 ]二氧杂环十一烷并[2,3,4-gh]吡咯嗪-2,6(3H)-二酮 TAO{mole}

(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione (3R,4R,5R,8a1R,13aR)-4,5-二羟基-3,4,5-三甲基-4,5,8,8a1,10,12,13,13a-八氢-2H- [1,6 ]二氧杂环十一烷并[2,3,4-gh]吡咯嗪-2,6(3H)-二酮

CAS 315-22-0 MFCD00084656

化学结构图

SMILES: C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23

化学属性

Mol. Formula	C₁₆H₂₃NO₆
Mol. Weight	325.36
Melting Point	>140°C (dec.)
Density	1.35
Boiling Point

别名和识别编码

Chemical Name	(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
CAS Number	315-22-0
Synonym	(13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione Monocrotaline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {SNA} 单响尾蛇毒蛋白野百合碱野百合碱
MDL Number	MFCD00084656
Beilstein Registry Number	48732
PubChem Substance ID	9415
Chemical Name Translation	(3R,4R,5R,8a1R,13aR)-4,5-二羟基-3,4,5-三甲基-4,5,8,8a1,10,12,13,13a-八氢-2H- [1,6 ]二氧杂环十一烷并[2,3,4-gh]吡咯嗪-2,6(3H)-二酮
Wiswesser Line Notation	T55 AN CUTJ FQ D1OV1- ET5OVTJ C1 D1 EQ
InChI	InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1

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产品应用

A toxic, pyrrolizidine alkaloid

安全信息

GHS Symbol

Precautionary statements

P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P310

Hazard statements

H351 Suspected of causing cancer 怀疑致癌
H301 Toxic if swallowed 吞食有毒

WGK Germany3

RTECSQB3140000

Signal word Danger

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Hazard Codes 6.1 T

Safety Statements

S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R25 Toxic if swallowed 吞咽有毒
R35 Causes severe burns 会导致严重灼伤
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用

UN Number 1544

Storage condition -20 储存温度 2-8°C 储存温度--20°C

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 130 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   56,787,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 66 mg/kg
TOXIC EFFECTS :
   Liver - hepatitis (hepatocellular necrosis), diffuse
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   18,387,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 92 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 83,265,19

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 259 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   59,424,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - r

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PAREAQ Pharmacological Reviews.  (Williams & Wilkins, 428 E. Preston St.,
   Baltimore, MD 21202) V.1-    1949-  Volume(issue)/page/year: 22,429,1970

TYPE OF TEST            : Heritable translocation test
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   JOGNAU

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 2 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   45,3125,1985

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 20 mg/kg
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 5,859,1973

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 10 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 182,243,1987

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 285,27,1993

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 5 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/ye

Packing GroupIII

其他信息

Monocrotaline is a toxic, pyrrolizidine alkaloid. It is used for inducing pulmonary diseases in rats. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature.