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Nucleosides and nucleotides

Folbic

Also known as FOLTX, Folacin, Vitamin B6 and Vitamin B12, Cyanocobalamin / folic acid / pyridoxine

CAS 454422-75-4Formula C90H121ClCoN22O23P+Molar mass 2,004.45 g/mol
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Folbic chemical structure, C90H121ClCoN22O23P+, CAS 454422-75-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
454422-75-4
Formula
C90H121ClCoN22O23P+
Molar mass
2,004.45 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Folbic?

Plain description, key identifiers and synonyms

Folbic is a chemical substance with the molecular formula C90H121ClCoN22O23P+ and a molar mass of 2,004.45 g/mol. Its CAS registry number is 454422-75-4. The IUPAC name is (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol, cobalt(2+), [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate, cyanide, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol, cobalt(2+), [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate, cyanide, hydrochloride
CAS number
454422-75-4
Molecular formula
C90H121ClCoN22O23P+
InChIKey
FINWBKVDYAMMCL-VKLCNRHNSA-N
InChI
InChI=1S/C62H90N13O14P.C19H19N7O6.C8H11NO3.CN.ClH.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;1-5-8(12)7(4-11)6(3-10)2-9-5;1-2;;/h20-21,23,28,31,34-37,41,52-53,56-57,71,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);2,10-12H,3-4H2,1H3;;1H;/q;;;-1;;+2/b38-23-,50-32-,55-33-;;;;;/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;12-;;;;/m00..../s1
Canonical SMILES
CC1=C2N=C(C=C3NC(=C(C)C4=NC(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)(O)OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O.Cc1ncc(CO)c(CO)c1O.Cl.Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1.[C-]#N.[Co+2]
Isomeric SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](/C(=C/C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC1=NC=C(C(=C1O)CO)CO.[C-]#N.C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N.Cl.[Co+2]

Synonyms

  • FOLTX
  • Folacin, Vitamin B6 and Vitamin B12
  • Cyanocobalamin / folic acid / pyridoxine

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
2,004.45 g/molcalc.
Exact mass
2,002.7728 Dacalc.
LogP (octanol/water)
3.71calc.
Topological polar surface area
770.7 Ųcalc.
Hydrogen bond donors
20calc.
Hydrogen bond acceptors
32calc.
Rotatable bonds
37calc.
Heavy atoms
138calc.
Rings
12calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.51calc.
Formal charge
1calc.
Stereocentres
16calc.
Components
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, O=C(CCC1CC2N=C1C=C1CCC(=N1)C=C1CCC(=CC3=NC2CC3)N1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1

O=C(CCC1CC2N=C1C=C1CCC(=N1)C=C1CCC(=CC3=NC2CC3)N1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1

8 rings, 48 atoms.

9 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.

Folbic suppliers

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

Frequently asked questions

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

What is Folbic?

Folbic is a chemical substance with the molecular formula C90H121ClCoN22O23P+ and a molar mass of 2,004.45 g/mol. Its CAS registry number is 454422-75-4.

What is the CAS number of Folbic?

The CAS registry number of Folbic is 454422-75-4.

What is the molecular formula and weight of Folbic?

The molecular formula of Folbic is C90H121ClCoN22O23P+ and its molar mass is 2,004.45 g/mol.

Is Folbic hazardous?

No GHS hazard classification for Folbic 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 Folbic?

Folbic 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 Folbic?

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What is the price of Folbic?

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

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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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