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31698-14-3

31698-14-3 structure

31698-14-3 structure

Name: Ancitabine
Chemical Name: ancitabine
CAS Number: 31698-14-3
Molecular Formula: C₉H₁₁N₃O₄
Molecular Weight: 225.20100
Catalog: API Antineoplastic agents Antimetabolite antineoplastic
Create Date: 2018-05-30 08:00:00
Modify Date: 2026-07-01 14:31:49
Ancitabine is an antileukemia drug[1].

Name	ancitabine
Synonyms	O2-2'-CYCLOCYTIDINE HYDROCHLORIDE 2,2’-cyclocytidine 2,2'-ANHYDRO-L-CYTIDINE 2,2’-o-cyclocytidine 2,2'-ANHYDRO-(BETA-D-ABINOFURANOSYL)CYTIDINE anhydroarac 2,2'-(1,4-CYCLOHEXANEDIYLIDENE)-BISPROPANEDINITRILE (2R,3R,3aS,9-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol Cytabine Impurity 18(Cytabine Impurity H) Ancitabine(Cyclocytidine) (2R,3R,3aS,9-2,3,3a,9a-Tetrahydro-6-amino-3-hydroxy-4aH-furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol (-)-CYCLOCYTIDINE HYDROCHLORIDE ancytabine 2,2’-anhydrocytidine Ancitabine //BP Cyclocytidine 2,2’-anhydroabinosylcytosine ncitabine CYCLOCYTIDINE HCL cyclocitidine ANCITABINE 2,2'-ANHYDRO-D-CYTIDINE HYDROCHLORIDE 2,2'-anhydrocytidine 2,2'-ANHYDROCYTIDINE HYDROCHLORIDE 2,2'-Anhydro-D-cytidineHCl anhydroac CYCLOCYTIDINE HYDROCHLORIDE 2, 2'-Anhydro-cytidine/Ancitabine anhydrocytidine 6h-furo(2’,3’:4,5)oxazolo(3,2-alpha)pyrimidine-2-methanol,2,3,3a,9a-tetrahydro Cyclo-Cr 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R,3R,3aS,9) Cytabine Impurity 31 Cytabine Impurity H (2R,4R,5R,6S)-4-(HYDROXYMETHYL)-10-IMINO-3,7-DIOXA-1,9-DIAZATRICYCLO[6.4.0.0,DODECA-8,11-DIEN CYCLOCYTIDINE

Description	Ancitabine is an antileukemia drug[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Others >> Others
References	[1]. Z Rao, et al. Study on the Synthesis of Cytarabine Hydrochloride and its Intermediate Ancitabine Hydrochloride. Fine Chemical Intermediates, 2013

Density	2.01 g/cm3
Boiling Point	422.2ºCat 760 mmHg
Melting Point	269-270ºC
Molecular Formula	C₉H₁₁N₃O₄
Molecular Weight	225.20100
Exact Mass	225.07500
PSA	100.59000
Index of Refraction	1.5100 (estimate)
Storage condition	−20°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LV2610000

CAS REGISTRY NUMBER :: 31698-14-3

LAST UPDATED :: 199512

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C9-H11-N3-O4

MOLECULAR WEIGHT :: 225.23

WISWESSER LINE NOTATION :: T B556 AN CO GO INYTT&J D1Q EQ JUM

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 :: >7 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1700 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 820 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3400 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4050 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2745 mg/kg/9W-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human Leukocyte

DOSE/DURATION :: 700 ug/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 23,1235,1974

WGK Germany	2
RTECS	LV2615000

50896-83-8 structure

50896-83-8

~%

31698-14-3 structure

31698-14-3

Literature: Journal of Organic Chemistry, , vol. 39, # 15 p. 2182 - 2186

10323-20-3 structure

10323-20-3

~%

31698-14-3 structure

31698-14-3

Literature: Journal of Organic Chemistry, , vol. 41, # 10 p. 1828 - 1831

532-20-7 structure

532-20-7

~%

31698-14-3 structure

31698-14-3

Literature: Journal of Organic Chemistry, , vol. 38, # 3 p. 593 - 598

65-46-3 structure

65-46-3

~%

31698-14-3 structure

31698-14-3

Literature: Journal of Organic Chemistry, , vol. 37, p. 284 - 288

27963-98-0 structure

27963-98-0

58311-73-2 structure

58311-73-2

~%

31698-14-3 structure

31698-14-3

Literature: Journal of Organic Chemistry, , vol. 41, # 10 p. 1828 - 1831

55628-10-9 structure

55628-10-9

~%

31698-14-3 structure

31698-14-3

Literature: Bulletin of the Chemical Society of Japan, , vol. 48, p. 505 - 507

10212-17-6 structure

10212-17-6

~%

31698-14-3 structure

31698-14-3

Literature: The Journal of organic chemistry, , vol. 32, # 5 p. 1462 - 1471

74580-91-9 structure

74580-91-9

~%

31698-14-3 structure

31698-14-3

147-94-4 structure

147-94-4

Literature: Journal of Medicinal Chemistry, , vol. 23, # 10 p. 1088 - 1094

1070-71-9 structure

1070-71-9

27963-98-0 structure

27963-98-0

~%

31698-14-3 structure

31698-14-3

Literature: Journal of Organic Chemistry, , vol. 38, # 3 p. 593 - 598

Precursor 7
10323-20-3 65-46-3 27963-98-0 58311-73-2
55628-10-9 74580-91-9 1070-71-9
DownStream 3
10212-20-1 147-94-4 80791-93-1

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