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Heterocyclic building blocks

Capreomycin IB

Also known as Capreomycin IA, 6-L-alanine

CAS 33490-33-4Formula C25H44N14O7Molar mass 652.72 g/mol
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Capreomycin IB chemical structure, C25H44N14O7, CAS 33490-33-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
33490-33-4
Formula
C25H44N14O7
Molar mass
652.72 g/mol
HS code
294190
Category
Heterocyclic building blocks

What is Capreomycin IB?

Plain description, key identifiers and synonyms

Capreomycin IB is a chemical substance with the molecular formula C25H44N14O7 and a molar mass of 652.72 g/mol. Its CAS registry number is 33490-33-4. The IUPAC name is (3S)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
CAS number
33490-33-4 CAS number cross-checked
Molecular formula
C25H44N14O7
UNII
2YP3RYC823
InChIKey
FRXNXDHFQYZYNA-GOTGUIIGSA-N
InChI
InChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12-,13-,14+,15-,18-/m0/s1
Canonical SMILES
CC1NC(=O)C(N)CNC(=O)C(C2CCNC(N)=N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CNC(=O)CC(N)CCCN)NC1=O
Isomeric SMILES
C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCNC(=N2)N)CNC(=O)C[C@H](CCCN)N

Synonyms

  • Capreomycin IA, 6-L-alanine

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
652.72 g/molcalc.
Exact mass
652.3517 Dacalc.
LogP (octanol/water)
-7.21calc.
Topological polar surface area
358.2 Ųcalc.
Hydrogen bond donors
13calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
9calc.
Heavy atoms
46calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C=C1NC(=O)CNC(=O)CNC(=O)CCNC(=O)C(C2CCN=CN2)NC1=O

C=C1NC(=O)CNC(=O)CNC(=O)CCNC(=O)C(C2CCN=CN2)NC1=O

2 rings, 28 atoms.

35 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.

Capreomycin IB suppliers

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Capreomycin IB 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 Capreomycin IB is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Capreomycin IB, based on the data on this page

What is Capreomycin IB?

Capreomycin IB is a chemical substance with the molecular formula C25H44N14O7 and a molar mass of 652.72 g/mol. Its CAS registry number is 33490-33-4.

What is the CAS number of Capreomycin IB?

The CAS registry number of Capreomycin IB is 33490-33-4.

What is the molecular formula and weight of Capreomycin IB?

The molecular formula of Capreomycin IB is C25H44N14O7 and its molar mass is 652.72 g/mol.

What is Capreomycin IB used for?

Known uses and roles of Capreomycin IB include building blocks in research and laboratory.

Is Capreomycin IB hazardous?

No GHS hazard classification for Capreomycin IB 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 Capreomycin IB?

Capreomycin IB is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Capreomycin IB?

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

What is the price of Capreomycin IB?

Suppliers quote Capreomycin IB 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 Capreomycin IB

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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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