Irinotecan HCI Trihydrate

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Names

[ CAS No. ]:
136572-09-3

[ Name ]:
Irinotecan HCI Trihydrate

[Synonym ]:
(+)-(4S)-4,11-Diethyl-4-hydroxy-9-<(piperidinopiperidino)-carbonyloxy>-1H-pyrano<3',4':6,7>indolizino<1,2-b>quinoline-3,14-(4H,12H)-dione hydrochloride trihydrate
[1,4'-Bipiperidine]-1'-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, hydrochloride, hydrate (1:1:3)
CPT-11 Trihydrate
Irinotecan hydrochloride trihydrate
MFCD01765731
Irinotecan HCl Trihydrate
(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate hydrochloride trihydrate
Irinotecan (hydrochloride trihydrate)

Chemical & Physical Properties

[ Boiling Point ]:
873.4ºC at 760 mmHg

[ Melting Point ]:
250-256ºC (dec.)

[ Molecular Formula ]:
C33H45ClN4O9

[ Molecular Weight ]:
677.185

[ Flash Point ]:
482ºC

[ Exact Mass ]:
676.287537

[ PSA ]:
141.89000

[ LogP ]:
4.57600

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DW1060750
CAS REGISTRY NUMBER :
136572-09-3
LAST UPDATED :
199703
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C33-H38-N4-O6.Cl-H.3H2-O
MOLECULAR WEIGHT :
677.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
867 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
83600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1045 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
132 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Irinotecan hydrochloride

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • Irinotecan Furan ring impurity
  • Irinotecan-d10
  • Irinotecan Hydroxyl Acid
  • irinotecan
  • Irinotecan Impurity 3
  • Irinotecan-d10 (hydrochloride)
  • 1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)-N-(2-methylbenzo[d]thiazol-5-yl)piperidine-3-carboxamide
  • 1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
  • N-(2,3-dichlorophenyl)-1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)piperidine-3-carboxamide
  • N-(2-methylbenzo[d]thiazol-5-yl)-1-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)piperidine-3-carboxamide
  • 3-(2-chlorophenyl)-5-methyl-N-(5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl)isoxazole-4-carboxamide
  • N-(5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl)-3-(phenylsulfonyl)propanamide
  • 2-(2-chloro-6-fluorophenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
  • 2-benzamido-N-(2-methoxyphenethyl)oxazole-4-carboxamide
  • 2-benzamido-N-(2-methoxyphenyl)oxazole-4-carboxamide
  • (1-(Benzo[d]thiazol-2-yl)azetidin-3-yl)(pyrrolidin-1-yl)methanone
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