LEVOLEUCOVORIN DIPYRIDOXAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23N7O7.2C8H12N2O2
Molecular Weight	809.8255
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LEVOLEUCOVORIN DIPYRIDOXAMINE

Structure Search

SMILES

CC1=C(O)C(CN)=C(CO)C=N1.CC2=C(O)C(CN)=C(CO)C=N2.NC3=NC(=O)C4=C(NC[C@H](CNC5=CC=C(C=C5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N4C=O)N3

InChI

InChIKey=MJRPHTBAPGGZQO-NJHZPMQHSA-N

InChI=1S/C20H23N7O7.2C8H12N2O2/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;2*1-5-8(12)7(2-9)6(4-11)3-10-5/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);2*3,11-12H,2,4,9H2,1H3/t12-,13-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C20H23N7O7
Molecular Weight	473.4393
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:30:18 UTC 2023` Edited by `admin` on `Sat Dec 16 10:30:18 UTC 2023`
Record UNII	QFN2PQ0Y3A
Record Status	`Validated (UNII)`
Record Version