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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16ClN3O7
Molecular Weight 313.692
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CHLOROETHYL)-N'-.BETA.-D-GLUCOPYRANOSYL-N-NITROSOUREA

SMILES

OC[C@H]1O[C@@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ZOBLZIKVIHJGRN-JAJWTYFOSA-N
InChI=1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-8-7(17)6(16)5(15)4(3-14)20-8/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6+,7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16ClN3O7
Molecular Weight 313.692
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1EU50CXT9P
Record Status Validated (UNII)
Record Version