2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-YL)methoxy)-3-hydroxypropyl propionate, (+-)-

HCID 135515409CAS 194159-18-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21
InChIKey
WWWAJZGPKYMTAM-UHFFFAOYSA-N
Molecular formula
C12H17N5O5
Average molar mass
311.29 g/mol

Names & identifiers

Preferred name
2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-YL)methoxy)-3-hydroxypropyl propionate, (+-)-
IUPAC
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] propanoate
English name
Ganciclovir Monoproprionate
Molecular formula
C12H17N5O5
Molecular weight
311.29

Names & synonyms

194159-18-7UNII-88D0H2WAXF88D0H2WAXF2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl propionate, (2RS)-GANCICLOVIR IMPURITY B [EP IMPURITY](2RS)-2-((2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY)-3-HYDROXYPROPYL PROPIONATE6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-9-((1-(HYDROXYMETHYL)-2-(1-OXOPROPOXY)ETHOXY)METHYL)-GANCICLOVIR IMPURITY B (EP IMPURITY)RefChem:1974942-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-YL)methoxy)-3-hydroxypropyl propionate, (+-)-(+-)-2-((2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY)-3-HYDROXYPROPYL PROPIONATEGanciclovir Mono-O-propionate
Show more names
Ganciclovir Impurity BGancyclovir Impurity 6Ganciclovir Impurity 9Valganciclovir USP RC JGanciclovir impurities817Valganciclovir Hydrochloric iMpurit J
Ganciclovir EP Impurity BGanciclovir Monoproprionate2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl propionate[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] propanoateGanciclovir Monopropionate2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl propionate(+/-)-2-((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl propionateWWWAJZGPKYMTAM-UHFFFAOYSA-N

Database identifiers

CAS
194159-18-7
PubChem CID
135515409
UNII
88D0H2WAXF
EC Number
839-214-1

Properties

Computed structural properties

XLogP
-1.5
Topological polar surface area
141 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
22

Experimental & physicochemical properties

LogP-0.92

Physicochemical properties

Melting point
190 °C · >190°C (dec.)
Density
1.6 · 1.60±0.1 g/cm3(Predicted)
storage temp.
Refrigerator, under inert atmosphere
solubility
DMSO (Slightly), Methanol (Very Slightly, Sonicated)
pka
9.32 · 9.32±0.20(Predicted)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]

P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesMuta. 1B (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS08
Hazard statements
H340-H360-H362-H351
Precautionary statements
P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501

Chemistry & industry

Applications

UsesGanciclovir Mono-O-propionate is a potential prodrug of Ganciclovir (G235000). Ganciclovir Mono-O-propionate was also found to exhibit anti-viral activity through experimental studies.

Suppliers50 total

济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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