CAS 85622-93-1 MFCD00866492-Temozolomide 3,4-二氢-3-甲基-4-氧代咪唑并[5,1-d]-1,2,3,5-四嗪-8-甲酰胺 TAO{mole}

Temozolomide 3,4-二氢-3-甲基-4-氧代咪唑并[5,1-d]-1,2,3,5-四嗪-8-甲酰胺

CAS 85622-93-1 MFCD00866492

化学结构图

SMILES: CN1N=NC2=C(N=CN2C1=O)C(N)=O

化学属性

Mol. Formula	C6H6N6O2
Mol. Weight	194
Melting Point	170-1720C

别名和识别编码

Chemical Name	Temozolomide
CAS Number	85622-93-1
Alfabeta Name	METHYLOXODIHYDROIMIDAZOTETRAZINECARBOXAMIDE D34345112358[[]]---------,,,,,
MDL Number	MFCD00866492
Synonym	替莫唑胺 Posaconazole 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one HYDROXYPROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol Temozolomide 4-[4-[4-[4-[[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one MB 39831 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
Chemical Name Translation	3,4-二氢-3-甲基-4-氧代咪唑并[5,1-d]-1,2,3,5-四嗪-8-甲酰胺
Reaxys-RN	5547136
Merck Number	9139
PubChem Substance ID	125307782
Beilstein Registry Number	5547136

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安全信息

Warnings IRRITANT

GHS Symbol

Precautionary statements

P305+P351+P338
P308+P313
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P201 Obtain special instructions before use. 使用前获取专门指示。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P332+P313
P405 Store locked up. 上锁保管。
P305+P351+P338+P337+P313

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H302 Harmful if swallowed 吞食有害
H335 May cause respiratory irritation 可能导致呼吸道刺激
H350 May cause cancer 可能致癌
H340 May cause genetic defects 可能导致遗传性缺陷
H319 Causes serious eye irritation 严重刺激眼睛
H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害

WGK Germany3

Signal word

RTECSNJ5927050

Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
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）；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Hazard Codes T

Risk Statements

Storage condition 0-10°C

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   47,5846,1987

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Leukocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   38,2069,1989

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Leukocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   47,4884,1987

其他信息

MOL 文件:171228-49-2.mol