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Basic Information
CAS No.: 101652-10-2
Name: Riboflavin reduced
Molecular Structure:
Molecular Structure of 101652-10-2 (Riboflavin reduced)
Formula: C17H22 N4 O6
Molecular Weight: 378.43
Synonyms: Benzo[g]pteridine,riboflavin deriv.
Density: 1.66g/cm3
Boiling Point: 506.49°C (rough estimate)
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
PSA: 158.21000
LogP: -1.45830
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Chemistry

Molecular Structure of 7,8-Dimethyl-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine (CAS NO.101652-10-2):


IUPAC: 5-Deoxy-5-(2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-arabinitol 
Molecular Formula: C15H16N4O6
Molecular Weight: 348.3107
Density: 1.76 g/cm3
Index of Refraction: 1.774
Surface Tension: 83.8 dyne/cm
Molar Volume: 197.1 cm3
Product Categories: Drug / Therapeutic Agent
SMILES: OC[C@@H](O)[C@H](O)[C@H](O)CN\2c3ccccc3/N=C1\C/2=N/C(=O)NC1=O 
InChI: InChI=1/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1 
InChIKey: ATANIONNQLTUND-CKYFFXLPBV

Toxicity Data With Reference

1.    

ipr-rat LD50:965 mg/kg

     CMTRAG    Chemotherapia. 2 (1961),96.
2.    

ipr-mus LD50:800 mg/kg

     CMTRAG    Chemotherapia. 2 (1961),96.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.

Specification

 7,8-Dimethyl-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine with cas registry number of 101652-10-2 is also known as Riboflavine, 4a,5-dihydro- ; Isoalloxazine, 4a,5-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)- . It would emit toxic fumes when heated to decomposition . 7,8-Dimethyl-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine with cas registry number of 101652-10-2 is used as a drug.