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Heterocyclic building blocks

Agropine

Also known as 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide, D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, intermol. 1,2-ester, (S)-, 3-((3S,6R)-2-oxo-6-((1S,2R,3R)-1,2,3,4-tetrahydroxybutyl)morpholin-3-yl)propanamide

CAS 70699-77-3Formula C11H20N2O7Molar mass 292.29 g/mol
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Agropine chemical structure, C11H20N2O7, CAS 70699-77-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
70699-77-3
Formula
C11H20N2O7
Molar mass
292.29 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Agropine?

Plain description, key identifiers and synonyms

Agropine is a chemical substance with the molecular formula C11H20N2O7 and a molar mass of 292.29 g/mol. Its CAS registry number is 70699-77-3. The IUPAC name is 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide
CAS number
70699-77-3 CAS number cross-checked
Molecular formula
C11H20N2O7
InChIKey
HCWLJSDMOMMDRF-SZWOQXJISA-N
InChI
InChI=1S/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16)/t5-,6+,7+,9+,10+/m0/s1
Canonical SMILES
NC(=O)CCC1NCC(C(O)C(O)C(O)CO)OC1=O
Isomeric SMILES
C1[C@@H](OC(=O)[C@@H](N1)CCC(=O)N)[C@H]([C@@H]([C@@H](CO)O)O)O

Synonyms

  • 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide
  • D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, intermol. 1,2-ester, (S)-
  • 3-((3S,6R)-2-oxo-6-((1S,2R,3R)-1,2,3,4-tetrahydroxybutyl)morpholin-3-yl)propanamide
  • 1H-Pyrrolo(2,1-c)(1,4)oxazine-1,6(7H)-dione, tetrahydro-3-(1,2,3,4-tetrahydroxybutyl)-
  • (1'-Deoxy-D-mannitol-1'-yl)-L-glutamine,1',2'-lactone
  • 3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanimidic acid
  • 3-{(3S,6R)-2-Oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl}propanimidic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
292.29 g/molcalc.
Exact mass
292.1271 Dacalc.
LogP (octanol/water)
-3.79calc.
Topological polar surface area
162.3 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CNCCO1

O=C1CNCCO1

1 ring, 7 atoms, the Morpholin-2-one ring system.

49 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Agropine suppliers

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Agropine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Agropine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Agropine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Agropine, based on the data on this page

What is Agropine?

Agropine is a chemical substance with the molecular formula C11H20N2O7 and a molar mass of 292.29 g/mol. Its CAS registry number is 70699-77-3. The IUPAC name is 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide.

What is the CAS number of Agropine?

The CAS registry number of Agropine is 70699-77-3.

What is the molecular formula and weight of Agropine?

The molecular formula of Agropine is C11H20N2O7 and its molar mass is 292.29 g/mol.

What is Agropine used for?

Known uses and roles of Agropine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Agropine hazardous?

No GHS hazard classification for Agropine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Agropine?

Agropine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Agropine?

Post a free request on CompoundList and suppliers of Agropine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Agropine?

Suppliers quote Agropine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Agropine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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