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Heterocyclic compounds

Moducrin

Also known as Moducren

CAS 73788-01-9Formula C30H43Cl3N14O12S3-2Molar mass 994.32 g/mol
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Moducrin chemical structure, C30H43Cl3N14O12S3-2, CAS 73788-01-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
73788-01-9
Formula
C30H43Cl3N14O12S3-2
Molar mass
994.32 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Moducrin?

Plain description, key identifiers and synonyms

Moducrin is a chemical substance with the molecular formula C30H43Cl3N14O12S3-2 and a molar mass of 994.32 g/mol. Its CAS registry number is 73788-01-9. The IUPAC name is (Z)-but-2-enedioate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide, 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-but-2-enedioate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide, 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide, hydrochloride
CAS number
73788-01-9
Molecular formula
C30H43Cl3N14O12S3-2
InChIKey
BJXRXEAUDWHADR-QWHOTCRFSA-L
InChI
InChI=1S/C13H24N4O3S.C7H8ClN3O4S2.C6H8ClN7O.C4H4O4.ClH/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;5-3(6)1-2-4(7)8;/h10,14,18H,4-9H2,1-3H3;1-2,10-11H,3H2,(H2,9,12,13);(H4,8,9,13)(H4,10,11,14,15);1-2H,(H,5,6)(H,7,8);1H/p-2/b;;;2-1-;/t10-;;;;/m0..../s1
Canonical SMILES
CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.Cl.NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O.O=C([O-])C=CC(=O)[O-]
Isomeric SMILES
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C(=C\C(=O)[O-])\C(=O)[O-].C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl

Synonyms

  • Moducren

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
994.32 g/molcalc.
Exact mass
992.1424 Dacalc.
LogP (octanol/water)
-3.68calc.
Topological polar surface area
437.7 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
22calc.
Rotatable bonds
10calc.
Heavy atoms
62calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.4calc.
Formal charge
-2calc.
Stereocentres
1calc.
Components
5calc.
Lipinski rule of five
Fails (3 violations)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, c1nsnc1N1CCOCC1

c1nsnc1N1CCOCC1

2 rings, 11 atoms, the 4-(1,2,5-Thiadiazol-3-yl)morpholine ring system.

48 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.

Moducrin suppliers

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Moducrin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Moducrin 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 Moducrin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Moducrin?

Moducrin is a chemical substance with the molecular formula C30H43Cl3N14O12S3-2 and a molar mass of 994.32 g/mol. Its CAS registry number is 73788-01-9.

What is the CAS number of Moducrin?

The CAS registry number of Moducrin is 73788-01-9.

What is the molecular formula and weight of Moducrin?

The molecular formula of Moducrin is C30H43Cl3N14O12S3-2 and its molar mass is 994.32 g/mol.

Is Moducrin hazardous?

No GHS hazard classification for Moducrin 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 Moducrin?

Moducrin 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 Moducrin?

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What is the price of Moducrin?

Suppliers quote Moducrin 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 Moducrin

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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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